* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    240     434
    1     0 S   NP   _N1_     1    28.88171    95.10014   -25.84132
    2     1 S   H    _HN1     2     1.02948    77.87439     8.77037
    3     1 S   H    _H1_     3     1.02826    29.27215  -167.78836
    4     1 S   H    _H2_     4     1.02793   120.04095   -95.60125
    5     1 S   CT   _CA1     5     1.50133   121.05844   115.44017
    6     5 S   HC   _HA1     6     1.09575   105.15991    89.81641
    7     5 S   CO3  _C1_     7     1.53770   112.45720   -30.35784
    8     7 S   O2Z  _O11     8     1.26374   115.00224   -42.50244
    9     7 S   O2Z  _O12     9     1.26239   114.94454   136.49391
   10     5 S   CT   _CB1    10     1.53060   107.39759  -152.24870
   11    10 S   HC   HB11    11     1.09839   109.29988   -49.64529
   12    10 S   HC   HB12    12     1.09810   110.48526    66.94407
   13    10 S   CT   _CG1    13     1.53009   112.64286  -170.60296
   14    13 S   HC   HG11    14     1.09575   110.68459   -67.32250
   15    13 S   HC   HG12    15     1.09672   109.72938    51.91941
   16    13 S   C    _CD1    16     1.51815   112.07572   172.34652
   17    16 S   O    _OE1    17     1.22751   123.20441    10.18348
   18    16 S   N    _N2_    18     1.38630   111.76448  -169.61840
   19    18 S   H    _HN2    19     1.01561   119.01747     1.00288
   20    18 S   CT1  _CA2    20     1.46273   123.49098   177.25391
   21    20 S   HC   _HA2    21     1.09739   109.25362     9.02585
   22    20 S   C    _C2_    22     1.53730   108.91145  -106.54479
   23    22 S   O    _O2_    23     1.23095   122.28873  -148.85975
   24    20 S   CT   _CB2    32     1.53454   111.55691   131.01346
   25    24 S   HC   HB21    33     1.09531   109.55684    56.84356
   26    24 S   HC   HB22    34     1.09363   109.71525   175.44087
   27    22 S   N    _N3_    24     1.38336   113.93081    38.64384
   28    27 S   H    _HN3    25     1.01530   119.62862    -3.01571
   29    24 S   S    _SG2    35     1.83374   111.06021   -64.20863
   30    27 S   CT   _CA3    26     1.45276   123.25065   177.26806
   31    30 S   HC   HA31    27     1.09549   107.49436   -65.27698
   32    30 S   HC   HA32    28     1.09559   108.01350    51.17516
   33    29 S   CT   _C23    36     1.88003   101.71281   179.95577
   34    33 S   OM   _O38    37     1.32330   108.10878   -60.31917
   35    30 S   CO3  _C3_    29     1.52969   114.07476   173.20202
   36    35 S   O2Z  _O31    30     1.26380   116.10404    -0.17914
   37    35 S   O2Z  _O32    31     1.26430   114.40771   179.87333
   38    33 S   CM   _C6_    38     1.53918   107.87616  -176.99886
   39    33 S   CT   _C22    68     1.57003   111.60419    58.89108
   40    39 S   HC   _H4_    69     1.09991   110.94921   -87.00736
   41    38 S   CMA  _C7_    39     1.36363   127.35528  -125.33708
   42    41 S   OM   _O41    40     1.26684   130.01318   178.89926
   43    39 S   OH   _O39    70     1.43752   110.96594    29.19018
   44    43 S   HO   _H16    71     0.97124   107.93063   175.73134
   45    38 S   CO4  _C5_    74     1.50997   118.45168    54.68454
   46    45 S   O    _O33    75     1.23070   121.12245   -93.53358
   47    41 S   CT   _C8_    41     1.54352   118.04006    -0.33804
   48    45 S   CT   _C4_    76     1.50732   117.43892    85.97096
   49    48 S   HC   _H5_    77     1.09363   108.99208   132.72452
   50    48 S   HC   _H6_    78     1.09348   111.26152    13.91097
   51    48 S   HC   _H7_    79     1.09278   109.42447  -107.06292
   52    47 S   CO4  _C21    42     1.55121   115.97909  -151.92952
   53    52 S   O    _O34    43     1.23203   121.77379   -89.00996
   54    47 S   OH   _O40    72     1.44273   107.28312    94.27805
   55    54 S   HO   _H17    73     0.97389   106.39117    48.98814
   56    52 S   CA   _C20    44     1.49325   119.33556    91.25054
   57    56 S   CA   _C11    45     1.39529   118.96948    11.24469
   58    56 S   CA   _C19    56     1.41266   121.68085  -170.07869
   59    57 S   CA   _C12    46     1.40266   119.19979   179.76510
   60    59 S   HA   _H10    47     1.09038   118.48363   178.66998
   61    58 S   OH   _O35    57     1.37579   120.74051     1.50350
   62    61 S   HO   _H13    58     0.97308   109.42421    -0.23903
   63    57 S   CT   _C10    63     1.50388   122.56502    -3.55104
   64    63 S   HC   _H8_    64     1.09754   109.52196   145.15932
   65    63 S   HC   _H9_    65     1.09379   106.14261   -99.21416
   66    59 S   CA   _C13    48     1.40208   122.05916    -1.17786
   67    47 S   CT   _C9_    66     1.54023   113.64283   -25.29382
   68    67 S   HC   _H3_    67     1.10127   107.50298   169.12174
   69    66 S   CA   _C14    49     1.40566   119.41167  -179.57572
   70    69 S   HA   _H11    50     1.08837   119.98278     0.04846
   71    69 S   CA   _C15    51     1.39080   120.59289  -179.98022
   72    71 S   CA   _C16    52     1.38482   120.54155     0.00000
   73    72 S   HA   _H12    53     1.08628   119.83217  -179.97202
   74    71 S   OH   _O37    61     1.36581   121.18978  -179.97202
   75    74 S   HO   _H15    62     0.97241   108.72187    -0.03956
   76    72 S   CA   _C17    54     1.39798   119.24549     0.04846
   77    66 S   CA   _C18    55     1.41572   120.00582     0.56510
   78    76 S   OH   _O36    59     1.37313   117.86604  -179.96044
   79    78 S   HO   _H14    60     0.97170   109.27401    -0.29739
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  15  14   6  13   5   5   1   6   4  12   3
   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5   3
   2   8   1   1   8   4   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    63    67    68    39    40    43    44    45    46    48  
   38    41    67    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    67    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    63    64    65    67    68  
   43    44    47    63    67    68  
   42    47    52    53    56    63    67    68    54    55    45    46    48  
   47    52    67    54    45  
   44    47    63    67    68  
   67  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    63    64    65    67    68    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    59    77    58    61    63    67    68    54    55  
   56    57    58    67    54  
   55    56    63    67    68  
   67  
   57    59    60    66    76    77    58    61    62    63    64    65    67  
   59    60    66    69    77    58    61    63    64    65    67    68  
   61    62    78    63    59    66    69    72    76    77  
   60    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   62    66    76    77  
   77  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   317.000  1.522
   47    67   268.000  1.529
   47    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    58   469.000  1.400
   57    59   469.000  1.400
   57    63   317.000  1.510
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    58   469.000  1.400
   58    61   450.000  1.364
   61    62   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  116.34900
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  109.06800
   41    47    67    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    80.00000  120.40000
   47    52    56    65.00000  115.47100
   47    67    63    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    58    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    59    63.00000  120.00000
   56    57    63    70.00000  120.00000
   56    58    77    63.00000  120.00000
   56    58    61    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    66    63.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    67    70.00000  112.17500
   59    66    69    63.00000  120.00000
   59    66    77    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    58    63.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    58    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    58    61    70.00000  120.00000
   58    56    57    63.00000  120.00000
   58    61    62    35.00000  113.00000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    57    59    70.00000  120.00000
   63    67    68    37.50000  110.70000
   63    67    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    47    52    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  109.61100
   54    47    67    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.51250  1.0 1.0
   38    41    47    52  -0.88800 -1.0 2.0
   38    41    47    52   0.08850  1.0 3.0
   38    41   -47    67   0.09850  1.0 1.0
   38    41   -47    67   0.15250 -1.0 2.0
   38    41   -47    67  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.30150 -1.0 2.0
   41    47    52    56   0.65300  1.0 1.0
   41    47    52    56  -0.03850 -1.0 2.0
   41    47    52    56   0.33900  1.0 3.0
   41    47    67    63   0.34400  1.0 1.0
   41    47    67    63   0.09450 -1.0 2.0
   41    47    67    63   0.11100  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.34400  1.0 1.0
   41    47    67    39   0.09450 -1.0 2.0
   41    47    67    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    67   0.09700  1.0 1.0
   42    41    47    67   0.15600 -1.0 2.0
   42    41    47    67  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   2.26350  1.0 1.0
   47    52    56    57   0.76750 -1.0 2.0
   47    52    56    57   0.22500  1.0 3.0
   47    52    56    58   2.26350  1.0 1.0
   47    52    56    58   0.76750 -1.0 2.0
   47    52    56    58   0.22500  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    43   0.86500  1.0 1.0
   47    67    39    43  -0.17500 -1.0 2.0
   47    67    39    43   0.20800  1.0 3.0
   52    47    67    63  -0.95700  1.0 1.0
   52    47    67    63  -0.18200 -1.0 2.0
   52    47    67    63   0.29450  1.0 3.0
   52    47    67    68  -0.11250  1.0 3.0
   52    47    67    39  -0.95700  1.0 1.0
   52    47    67    39  -0.18200 -1.0 2.0
   52    47    67    39   0.29450  1.0 3.0
   52    47    54    55   0.91850  1.0 1.0
   52    47    54    55   0.57950  1.0 3.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56   -57    63   3.62500 -1.0 2.0
   52    56    58    77   3.62500 -1.0 2.0
   52    56    58    61   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    58   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    66   3.62500 -1.0 2.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    67   0.04150 -1.0 2.0
   56    58    61    62   0.84100 -1.0 2.0
   57    56    58    77   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   57    59    66    69   3.62500 -1.0 2.0
   57    59   -66    77   3.62500 -1.0 2.0
   57    63   -67    47  -0.03700  1.0 1.0
   57    63   -67    47   0.37200 -1.0 2.0
   57    63   -67    47  -0.47300  1.0 3.0
   57    63    67    68   0.43200  1.0 3.0
   57    63    67    39  -0.03700  1.0 1.0
   57    63    67    39   0.37200 -1.0 2.0
   57    63    67    39  -0.47300  1.0 3.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    67   0.04150 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    71   3.62500 -1.0 2.0
   59    66    77    76   3.62500 -1.0 2.0
   59    66    77    58   3.62500 -1.0 2.0
   60    59    66    69   3.62500 -1.0 2.0
   60    59    66    77   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -58    56   3.62500 -1.0 2.0
   66    77    58    61   3.62500 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    58   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    58   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    58    56   3.62500 -1.0 2.0
   76    77    58    61   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    58    61    62   0.84100 -1.0 2.0
   58    56   -57    59   3.62500 -1.0 2.0
   58    56    57    63   3.62500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    58   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    57    59    60   3.62500 -1.0 2.0
   63    57    59    66   3.62500 -1.0 2.0
   63    67    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    43   0.86500  1.0 1.0
   63    67    39    43  -0.17500 -1.0 2.0
   63    67    39    43   0.20800  1.0 3.0
   64    63    67    47   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   65    63    67    47   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    39   0.15000  1.0 3.0
   67    47    52    53   0.30150 -1.0 2.0
   67    47   -52    56   0.05850 -1.0 2.0
   67    47   -52    56   0.17250  1.0 3.0
   67    47    54    55  -0.11600  1.0 1.0
   67    47    54    55  -0.09450 -1.0 2.0
   67    47    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.30150 -1.0 2.0
   54    47    52    56   0.65300  1.0 1.0
   54    47    52    56  -0.03850 -1.0 2.0
   54    47    52    56   0.33900  1.0 3.0
   54    47    67    63   0.86500  1.0 1.0
   54    47    67    63  -0.17500 -1.0 2.0
   54    47    67    63   0.20800  1.0 3.0
   54    47    67    68   0.23400  1.0 3.0
   54    47    67    39   0.86500  1.0 1.0
   54    47    67    39  -0.17500 -1.0 2.0
   54    47    67    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    56    52    53  10.50000 -1.0 2.0
   57    58    56    52   4.00000 -1.0 2.0
   59    63    57    56   4.00000 -1.0 2.0
   66    60    59    57   1.10000 -1.0 2.0
   69    77    66    59   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    58    77    66   4.00000 -1.0 2.0
   77    61    58    56   4.00000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
