* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    145    241     435
    1     0 S   NP   _N1_     1    30.52188    99.02045   -23.48525
    2     1 S   H    _HN1     2     1.02752    39.75077   -63.88340
    3     1 S   H    _H1_     3     1.02911    78.87480   159.81048
    4     1 S   H    _H2_     4     1.03409   144.49582   -97.19262
    5     1 S   CT   _CA1     5     1.50189    98.58557    50.58693
    6     5 S   HC   _HA1     6     1.09636   104.61164   147.40946
    7     5 S   CO3  _C1_     7     1.54337   110.90052    31.19651
    8     7 S   O2Z  _O11     8     1.26014   116.82463  -111.89335
    9     7 S   O2Z  _O12     9     1.26684   113.78433    67.64321
   10     5 S   CT   _CB1    10     1.53308   107.38122   -95.88858
   11    10 S   HC   HB11    11     1.09784   110.13986   -37.32896
   12    10 S   HC   HB12    12     1.09728   109.60790    78.91469
   13    10 S   CT   _CG1    13     1.53435   112.54141  -160.07392
   14    13 S   HC   HG11    14     1.09677   109.52572  -148.75565
   15    13 S   HC   HG12    15     1.09462   112.25220   -30.19088
   16    13 S   C    _CD1    16     1.51559   110.22724    94.43210
   17    16 S   O    _OE1    17     1.23006   121.09334    72.65919
   18    16 S   N    _N2_    18     1.38354   114.04720  -105.21668
   19    18 S   H    _HN2    19     1.01643   119.56855    -1.92600
   20    18 S   CT1  _CA2    20     1.46277   122.33546   174.55471
   21    20 S   HC   _HA2    21     1.09752   109.28477    -0.18663
   22    20 S   C    _C2_    22     1.53363   107.36102  -115.29566
   23    22 S   O    _O2_    23     1.22991   122.66778  -136.47166
   24    20 S   CT   _CB2    32     1.53420   113.40066   121.67735
   25    24 S   HC   HB21    33     1.09277   109.92984    64.99543
   26    24 S   HC   HB22    34     1.09422   108.48852  -177.02448
   27    22 S   N    _N3_    24     1.38464   113.21475    49.96252
   28    27 S   H    _HN3    25     1.01586   119.52435    -1.08751
   29    24 S   S    _SG2    35     1.82742   112.20693   -55.98245
   30    27 S   CT   _CA3    26     1.45282   122.91104   177.67965
   31    30 S   HC   HA31    27     1.09540   107.68009   -62.71714
   32    30 S   HC   HA32    28     1.09576   107.75781    53.65830
   33    29 S   CT   _C18    36     1.84299   102.90924  -162.83429
   34    30 S   CO3  _C3_    29     1.52828   114.14613   175.83764
   35    34 S   O2Z  _O31    30     1.26458   116.08645     9.45513
   36    34 S   O2Z  _O32    31     1.26360   114.63121  -170.08515
   37    33 S   CO4  _C17    37     1.52533   110.92868   -43.52768
   38    37 S   O    _O33    38     1.23561   120.54370    85.15337
   39    33 S   CT   _C19    71     1.53880   112.34561  -166.00962
   40    39 S   HC   _H4_    72     1.10094   109.00171   177.66905
   41    33 S   OH   _O38    78     1.42898   110.61600    73.12445
   42    41 S   HO   _H15    79     0.97166   107.32121   -53.59544
   43    37 S   CT   _C16    39     1.53746   118.66854   -98.95833
   44    43 S   HC   _H3_    40     1.10297   103.23286   -92.17316
   45    39 S   C    _C23    73     1.53009   111.65561   -65.52872
   46    45 S   O    _O37    74     1.22827   123.98493    88.58987
   47    43 S   CT   _C15    41     1.53753   110.44474   153.40472
   48    47 S   HC   _H11    42     1.09682   111.26100   169.08270
   49    47 S   HC   _H12    43     1.09494   107.53651    52.56648
   50    45 S   N    _N4_    75     1.37704   113.67852   -90.61490
   51    50 S   H    _H13    76     1.01417   122.66708     1.93937
   52    50 S   H    _H14    77     1.01384   120.23009   179.81025
   53    47 S   CA   _C14    44     1.51178   111.43137   -69.53195
   54    53 S   CA   _C13    45     1.40217   119.23175   -35.20411
   55    54 S   CA   _C12    46     1.40777   119.54203   176.12495
   56    54 S   CO4  _C22    65     1.50116   119.77280    -2.79372
   57    56 S   O    _O35    66     1.23237   118.29812  -162.68657
   58    55 S   CA   _C11    47     1.42294   122.21254    -0.69605
   59    55 S   OH   _O39    63     1.37668   120.44095  -177.95665
   60    59 S   HO   _H16    64     0.97293   109.76783    -8.13094
   61    43 S   CT   _C21    67     1.53679   113.89331    26.94182
   62    61 S   OM   _O36    68     1.32353   108.49964  -159.84994
   63    58 S   CA   _C6_    48     1.41972   118.00557     1.82478
   64    61 S   CO4  _C20    69     1.54612   112.68860   -44.00853
   65    64 S   O    _O34    70     1.23443   122.40278  -170.65788
   66    63 S   CA   _C7_    49     1.41855   117.97355  -177.66142
   67    66 S   HA   _H8_    50     1.08759   121.06913   177.64001
   68    53 S   CA   _C5_    58     1.41897   121.17514   144.88430
   69    66 S   CA   _C8_    51     1.39380   122.70902    -1.18068
   70    69 S   HA   _H9_    52     1.08596   120.10394   179.77971
   71    68 S   CT   _C4_    59     1.51621   119.52021     5.33451
   72    71 S   HC   _H5_    60     1.09402   110.13680   -92.07744
   73    71 S   HC   _H6_    61     1.09422   111.92446    29.77416
   74    71 S   HC   _H7_    62     1.09415   111.70979   145.86127
   75    69 S   CA   _C9_    53     1.38062   119.59125    -0.32626
   76    75 S   HA   _H10    54     1.08622   119.59896  -179.50663
   77    58 S   CA   _C10    55     1.42593   124.21837  -178.00051
   78    77 S   OH   _O40    56     1.37233   119.90354    -2.22932
   79    78 S   HO   _H17    57     0.97472   109.56272  -177.50739
  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
  15   2   1   1  16   6  14   7   4   1  13   8   7   4  12   5
   4   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1
   1   8   4   6   5   3   3   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    64    39    40    45    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    61    64    65    39    40    45    46    50    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    49    53    56    61    62    64    39    40    45    41    42  
   43    44    47    61    39    41  
   40    45    46    50    51    52    41    42    43    56    61    62    64    65  
   45    46    50    41    61    64    65  
   42    43    45    64  
    0  
   44    47    48    49    53    54    68    56    57    61    62    64    65  
   47    48    49    53    56    61    62    64  
   46    50    51    52    61    64    65  
   50    51    52    64  
   48    49    53    54    55    63    68    71    56    61    62    64  
   49    53    54    68    61  
   53    54    68    61  
   51    52    64  
   52  
    0  
   54    55    58    63    66    68    71    72    73    74    59    56    57    61  
   55    58    63    77    68    71    59    60    56    57    61    62    64  
   58    63    66    75    77    78    68    59    60    56    57    61  
   57    61    62    64    65    58    59    68  
   61    62    64  
   63    66    67    69    75    76    77    78    79    68    71    59    60  
   60    63    77  
    0  
   62    64    65  
   64    65  
   66    67    69    70    75    77    78    68    71    72    73    74  
   65  
    0  
   67    69    70    75    76    77    68    71  
   69    70    75    68  
   71    72    73    74    69    77  
   70    75    76    77    78  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79  
   77    78  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    61   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.510
   53    54   469.000  1.400
   53    68   469.000  1.400
   54    55   469.000  1.400
   54    56   310.000  1.470
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    63   469.000  1.400
   58    77   469.000  1.400
   63    66   469.000  1.400
   63    68   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   68    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   553.000  0.945
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   570.000  1.307
   61    64   317.000  1.522
   64    65   570.000  1.229
   64    39   317.000  1.522
   39    40   340.000  1.090
   39    45   317.000  1.522
   45    46   570.000  1.229
   45    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    64    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    63.00000  111.10000
   33    41    42    55.00000  108.50000
   37    43    44    35.00000  109.50000
   37    43    47    63.00000  111.10000
   37    43    61    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    53    70.00000  112.17500
   43    61    56    63.00000  111.10000
   43    61    62    50.00000  109.50000
   43    61    64    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    53    54    70.00000  120.00000
   47    53    68    70.00000  120.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    56    60.00000  119.52600
   53    68    63    63.00000  120.00000
   53    68    71    70.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    61    65.00000  115.47100
   55    58    63    63.00000  120.00000
   55    58    77    63.00000  120.00000
   55    59    60    35.00000  113.00000
   58    63    66    63.00000  120.00000
   58    63    68    63.00000  120.00000
   58    77    75    63.00000  120.00000
   58    77    78    70.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    68    71    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    75    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    58    63    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   68    53    54    63.00000  120.00000
   68    63    66    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    55    58    70.00000  120.00000
   56    54    55    60.00000  119.52600
   56    61    62    90.00000  108.74100
   56    61    64    75.00000  107.99600
   61    43    44    37.50000  110.70000
   61    43    47    58.35000  112.70000
   61    56    57    80.00000  120.40000
   61    64    65    80.00000  120.40000
   61    64    39    70.00000  116.00000
   64    61    62    90.00000  108.74100
   64    39    40    35.00000  109.50000
   64    39    45    70.00000  107.85200
   39    33    37    63.00000  111.10000
   39    64    65    80.00000  120.40000
   39    45    46    80.00000  120.40000
   39    45    50    70.00000  116.60000
   45    39    40    35.00000  109.50000
   45    50    51    35.00000  119.80000
   45    50    52    35.00000  119.80000
   50    45    46    80.00000  122.90000
   52    50    51    35.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    64   0.56750  1.0 1.0
   29    33    39    64  -0.07550 -1.0 2.0
   29    33    39    64   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    37    43    61   0.60050  1.0 1.0
   33    37    43    61   0.05600 -1.0 2.0
   33    37    43    61   0.26150  1.0 3.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    50   1.39750  1.0 1.0
   33    39    45    50  -0.07950 -1.0 2.0
   33    39    45    50  -0.18750  1.0 3.0
   37    33    39    64   0.11950  1.0 1.0
   37    33    39    64   0.20300 -1.0 2.0
   37    33    39    64  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45   0.11950  1.0 1.0
   37    33    39    45   0.20300 -1.0 2.0
   37    33    39    45  -0.70800  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    47    48  -0.11250  1.0 3.0
   37    43    47    49  -0.11250  1.0 3.0
   37    43    47    53   0.56750  1.0 1.0
   37    43    47    53  -0.07550 -1.0 2.0
   37    43    47    53   0.20000  1.0 3.0
   37    43    61    56   0.11950  1.0 1.0
   37    43    61    56   0.20300 -1.0 2.0
   37    43    61    56  -0.70800  1.0 3.0
   37    43    61    62  -0.09450  1.0 1.0
   37    43    61    62  -1.12950 -1.0 2.0
   37    43    61    62   0.54000  1.0 3.0
   37    43   -61    64   0.11950  1.0 1.0
   37    43   -61    64   0.20300 -1.0 2.0
   37    43   -61    64  -0.70800  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.30150 -1.0 2.0
   38    37    43    61   0.30150 -1.0 2.0
   43    47    53    54   0.04150 -1.0 2.0
   43    47    53    68   0.04150 -1.0 2.0
   43    61    64    65   0.30150 -1.0 2.0
   43    61    64    39   0.60050  1.0 1.0
   43    61    64    39   0.05600 -1.0 2.0
   43    61    64    39   0.26150  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    53   0.43200  1.0 3.0
   44    43    61    56  -0.11250  1.0 3.0
   44    43    61    62   0.23400  1.0 3.0
   44    43    61    64  -0.11250  1.0 3.0
   47    43    61    56  -0.95700  1.0 1.0
   47    43    61    56  -0.18200 -1.0 2.0
   47    43    61    56   0.29450  1.0 3.0
   47    43    61    62   0.62750  1.0 1.0
   47    43    61    62  -0.30950 -1.0 2.0
   47    43    61    62   0.27300  1.0 3.0
   47    43    61    64  -0.95700  1.0 1.0
   47    43    61    64  -0.18200 -1.0 2.0
   47    43    61    64   0.29450  1.0 3.0
   47    53    54    55   3.62500 -1.0 2.0
   47    53   -54    56   3.62500 -1.0 2.0
   47    53    68    63   3.62500 -1.0 2.0
   47    53    68    71   3.62500 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    68   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
   49    47    53    68   0.00000  1.0 1.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    61   2.26350  1.0 1.0
   53    54    56    61   0.76750 -1.0 2.0
   53    54    56    61   0.22500  1.0 3.0
   53    68    71    72   0.00000  1.0 1.0
   53    68    71    73   0.00000  1.0 1.0
   53    68    71    74   0.00000  1.0 1.0
   54    53    68    63   3.62500 -1.0 2.0
   54    53    68    71   3.62500 -1.0 2.0
   54    55   -58    63   3.62500 -1.0 2.0
   54    55    58    77   3.62500 -1.0 2.0
   54    55    59    60   0.84100 -1.0 2.0
   54    56   -61    43   0.05850 -1.0 2.0
   54    56   -61    43   0.17250  1.0 3.0
   54    56    61    62   0.65300  1.0 1.0
   54    56    61    62  -0.03850 -1.0 2.0
   54    56    61    62   0.33900  1.0 3.0
   54    56    61    64   0.65300  1.0 1.0
   54    56    61    64  -0.03850 -1.0 2.0
   54    56    61    64   0.33900  1.0 3.0
   55    54    56    57   1.05000 -1.0 2.0
   55    54    56    61   2.26350  1.0 1.0
   55    54    56    61   0.76750 -1.0 2.0
   55    54    56    61   0.22500  1.0 3.0
   55    58    63    66   3.62500 -1.0 2.0
   55    58    63    68   3.62500 -1.0 2.0
   55    58    77    75   3.62500 -1.0 2.0
   55    58    77    78   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63    66    69   3.62500 -1.0 2.0
   58    63   -68    53   3.62500 -1.0 2.0
   58    63    68    71   3.62500 -1.0 2.0
   58    77    78    79   0.84100 -1.0 2.0
   63    58    77    75   3.62500 -1.0 2.0
   63    58    77    78   3.62500 -1.0 2.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66   -69    75   3.62500 -1.0 2.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    73   0.00000  1.0 1.0
   63    68    71    74   0.00000  1.0 1.0
   66    63    68    53   3.62500 -1.0 2.0
   66    63    68    71   3.62500 -1.0 2.0
   66    69    75    76   3.62500 -1.0 2.0
   66    69    75    77   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    75   3.62500 -1.0 2.0
   69    75   -77    58   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    58   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    58   -63    66   3.62500 -1.0 2.0
   77    58    63    68   3.62500 -1.0 2.0
   68    53   -54    55   3.62500 -1.0 2.0
   68    53    54    56   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    69   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   59    55    58    77   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61    64    39   0.65300  1.0 1.0
   56    61    64    39  -0.03850 -1.0 2.0
   56    61    64    39   0.33900  1.0 3.0
   57    56    61    43   0.30150 -1.0 2.0
   57    56    61    62   0.30150 -1.0 2.0
   57    56    61    64   0.30150 -1.0 2.0
   61    43    47    48   0.15000  1.0 3.0
   61    43    47    49   0.15000  1.0 3.0
   61    43   -47    53  -0.03700  1.0 1.0
   61    43   -47    53   0.37200 -1.0 2.0
   61    43   -47    53  -0.47300  1.0 3.0
   61    64   -39    33   0.60050  1.0 1.0
   61    64   -39    33   0.05600 -1.0 2.0
   61    64   -39    33   0.26150  1.0 3.0
   61    64    39    40   0.00000  1.0 1.0
   61    64    39    45   0.65300  1.0 1.0
   61    64    39    45  -0.03850 -1.0 2.0
   61    64    39    45   0.33900  1.0 3.0
   62    61    64    65   0.30150 -1.0 2.0
   62    61    64    39   0.55300  1.0 1.0
   62    61    64    39   1.25850 -1.0 2.0
   62    61    64    39  -0.23600  1.0 3.0
   64    39    45    46   0.30150 -1.0 2.0
   64    39    45    50   0.00000  1.0 1.0
   65    64    39    33   0.30150 -1.0 2.0
   65    64    39    40   0.00000  1.0 1.0
   65    64    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    45    50    51   2.45000 -1.0 2.0
   39    45    50    52   2.45000 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    50   0.00000  1.0 1.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    52   2.45000 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.55300  1.0 1.0
   41    33    37    43   1.25850 -1.0 2.0
   41    33    37    43  -0.23600  1.0 3.0
   41    33    39    64  -0.09450  1.0 1.0
   41    33    39    64  -1.12950 -1.0 2.0
   41    33    39    64   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    45  -0.09450  1.0 1.0
   41    33    39    45  -1.12950 -1.0 2.0
   41    33    39    45   0.54000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   54    68    53    47   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   63    77    58    55   4.00000 -1.0 2.0
   66    68    63    58   4.00000 -1.0 2.0
   69    67    66    63   1.10000 -1.0 2.0
   75    70    69    66   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    58   4.00000 -1.0 2.0
   63    71    68    53   4.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   61    39    64    65  10.50000 -1.0 2.0
   39    50    45    46  10.50000 -1.0 2.0
   52    45    50    51   1.00000 -1.0 2.0
END
