* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    142    218     416
    1     0 S   NP   _N1_     1    28.83622    94.01716   -23.58556
    2     1 S   H    _HN1     2     1.02814    24.01322   162.47788
    3     1 S   H    _H1_     3     1.02768   103.56710   -93.89988
    4     1 S   H    _H2_     4     1.03141    86.73171    13.83501
    5     1 S   CT   _CA1     5     1.50186   131.82428   128.83260
    6     5 S   HC   _HA1     6     1.09569   105.32192    76.66529
    7     5 S   CO3  _C1_     7     1.53803   112.47214   -43.55975
    8     7 S   O2Z  _O11     8     1.26330   115.14468   -45.21522
    9     7 S   O2Z  _O12     9     1.26252   114.89250   134.07781
   10     5 S   CT   _CB1    10     1.52965   107.15410  -165.47746
   11    10 S   HC   HB11    11     1.09834   109.43940   -52.56384
   12    10 S   HC   HB12    12     1.09494   109.95227    63.62719
   13    10 S   CT   _CG1    13     1.52876   113.28395  -174.12771
   14    13 S   HC   HG11    14     1.09569   110.73303   -61.39146
   15    13 S   HC   HG12    15     1.09643   109.83867    57.96182
   16    13 S   C    _CD1    16     1.51869   112.01324   178.58059
   17    16 S   O    _OE1    17     1.22708   123.23002     4.55380
   18    16 S   N    _N2_    18     1.38561   111.64357  -175.50124
   19    18 S   H    _HN2    19     1.01567   118.87200     1.31105
   20    18 S   CT1  _CA2    20     1.46324   123.61499   176.70973
   21    20 S   HC   _HA2    21     1.09651   109.43085     1.67164
   22    20 S   C    _C2_    22     1.53557   107.92227  -113.37847
   23    22 S   O    _O2_    23     1.23031   122.57818  -144.23769
   24    20 S   CT   _CB2    32     1.53286   111.44631   124.41480
   25    24 S   HC   HB21    33     1.09661   109.71539    53.77840
   26    24 S   HC   HB22    34     1.09506   111.35573   171.19141
   27    22 S   N    _N3_    24     1.38433   113.49280    42.93097
   28    27 S   H    _HN3    25     1.01579   119.54977    -2.82404
   29    24 S   S    _SG2    35     1.82930   112.95542   -65.35994
   30    27 S   CT   _CA3    26     1.45262   123.17256   177.26290
   31    30 S   HC   HA31    27     1.09550   107.44204   -65.90696
   32    30 S   HC   HA32    28     1.09557   108.05789    50.52660
   33    29 S   CMA  _C23    36     1.80997   100.42030   -74.61579
   34    33 S   OM   _O39    37     1.26523   120.51711   -62.03736
   35    30 S   CO3  _C3_    29     1.52944   114.11865   172.53944
   36    35 S   O2Z  _O31    30     1.26367   116.11323    -2.14119
   37    35 S   O2Z  _O32    31     1.26437   114.39841   177.96097
   38    33 S   CM   _C22    38     1.35620   110.60418   119.77143
   39    38 S   HC   _H20    39     1.08736   121.63998     0.68414
   40    38 S   CO4  _C21    40     1.49987   124.56866   179.15073
   41    40 S   O    _O40    41     1.22841   122.98667    25.48820
   42    40 S   CT   _C20    42     1.51160   116.05169  -156.07674
   43    42 S   HC   _H18    43     1.09563   108.12577   155.62595
   44    42 S   HC   _H19    44     1.09483   108.89898    39.14755
   45    42 S   CO4  _C19    45     1.51256   114.30734   -83.27256
   46    45 S   O    _O38    46     1.23063   121.70663    -2.26788
   47    45 S   CT   _C18    47     1.52497   115.79217   179.22167
   48    47 S   HC   _H16    48     1.09460   108.53516   -40.64470
   49    47 S   HC   _H17    49     1.09550   108.36686    74.86793
   50    47 S   CM   _C9_    50     1.51267   110.97295  -163.13960
   51    50 S   CM   _C8_    51     1.34736   124.27280    89.21475
   52    51 S   CT   _C17    52     1.50233   124.56155  -177.37550
   53    52 S   HC   _H3_    53     1.09717   108.14080  -133.14275
   54    51 S   CO4  _C7_    71     1.49048   119.14949     3.14834
   55    54 S   O    _O34    72     1.22875   119.80079    82.48835
   56    52 S   CA   _C16    54     1.51382   114.62905   -11.99735
   57    52 S   OH   _O35    69     1.43089   107.94936   110.39203
   58    57 S   HO   _H13    70     0.97299   107.94479   -94.44750
   59    54 S   CT   _C6_    73     1.50912   116.92190  -100.18554
   60    59 S   HC   _H7_    74     1.09456   109.60909    24.59840
   61    59 S   HC   _H8_    75     1.09399   106.97055   -93.72430
   62    56 S   CA   _C11    55     1.40652   120.66435    11.31553
   63    59 S   CO4  _C5_    76     1.51070   115.37862   145.20235
   64    63 S   O    _O33    77     1.23001   122.62756   -20.53572
   65    62 S   CA   _C12    56     1.40522   119.69466   178.50616
   66    65 S   HA   _H11    57     1.08745   119.67283  -179.57204
   67    50 S   CT   _C10    66     1.51141   114.93319   -89.78344
   68    67 S   HC   _H9_    67     1.09675   109.06826    66.01797
   69    67 S   HC   _H10    68     1.09794   108.06092   -51.05937
   70    63 S   CT   _C4_    78     1.50631   116.23491   162.05937
   71    70 S   HC   _H4_    79     1.09233   109.52292    58.78631
   72    70 S   HC   _H5_    80     1.09265   109.61302   -62.20514
   73    70 S   HC   _H6_    81     1.09343   109.74132   178.30939
   74    65 S   CA   _C13    58     1.39297   120.21211     0.55178
   75    74 S   CA   _C14    59     1.38888   120.77702    -0.20558
   76    75 S   HA   _H12    60     1.08610   119.94524  -179.95577
   77    74 S   OH   _O37    64     1.36623   121.06541   179.84423
   78    77 S   HO   _H15    65     0.97245   108.66973    -0.12033
   79    56 S   CA   _C15    61     1.40616   120.53023  -169.70046
   80    79 S   OH   _O36    62     1.37019   118.98673     0.91129
   81    80 S   HO   _H14    63     0.97256   108.77039   178.32789
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   7   4  10   4
   3  13  16  13   6  10   4  14   3   1   8   4   3  10   5   4
  10   4   4   1   1   3   2   1   1   6   6   3   2   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    67  
   47    48    49    50  
   48    49    50    51    52    62    67    68    69    54  
   49    50    51    67  
   50    51    67  
   51    52    53    56    62    65    67    68    69    57    54    55    59  
   52    53    56    62    79    67    68    69    57    58    54    55    59    60    61    63  
   53    56    62    65    75    79    80    67    57    58    54    55    59  
   56    62    79    57    58    54  
   55    59    60    61    63    64    70    56    57    67  
   59    60    61    63  
   62    65    66    74    75    76    79    80    81    67    68    69    57    58  
   58    62    79  
    0  
   60    61    63    64    70    71    72    73  
   61    63    64    70  
   63    64    70  
   65    66    74    75    79    80    77    67    68    69  
   64    70    71    72    73  
   70    71    72    73  
   66    74    75    76    79    77    78    67    68    69  
   74    75    77    67  
   68    69    74    79  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    79    80    77    78  
   76    79    80    81    77    78  
   79    80    77  
   78    79  
    0  
   80    81  
   81  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   50    67   317.000  1.510
   51    52   317.000  1.510
   51    54   320.000  1.462
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    57   320.000  1.410
   56    62   469.000  1.400
   56    79   469.000  1.400
   62    65   469.000  1.400
   62    67   317.000  1.510
   65    66   367.000  1.080
   65    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   450.000  1.364
   80    81   553.000  0.945
   77    78   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   57    58   553.000  0.945
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   317.000  1.522
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    70.00000  109.06800
   47    45    46    80.00000  120.40000
   47    50    51    70.00000  124.00000
   47    50    67    65.00000  117.92700
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    70.00000  124.00000
   50    51    54    65.00000  118.96000
   50    67    62    70.00000  112.99600
   50    67    68    35.00000  109.50000
   50    67    69    35.00000  109.50000
   51    52    53    35.00000  109.50000
   51    52    56    70.00000  112.99600
   51    52    57    90.00000  110.39200
   51    54    55    80.00000  123.72100
   51    54    59    65.00000  118.62400
   52    56    62    70.00000  120.00000
   52    56    79    70.00000  120.00000
   52    57    58    55.00000  108.50000
   56    52    53    35.00000  109.50000
   56    62    65    63.00000  120.00000
   56    62    67    70.00000  120.00000
   56    79    75    63.00000  120.00000
   56    79    80    70.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    74    63.00000  120.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   65    74    75    63.00000  120.00000
   65    74    77    70.00000  120.00000
   74    65    66    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    70.00000  120.00000
   79    56    62    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    81    35.00000  113.00000
   77    74    75    70.00000  120.00000
   67    50    51    70.00000  124.00000
   67    62    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    56    90.00000  112.51600
   54    51    52    65.00000  116.34900
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    63    75.00000  107.99600
   59    54    55    80.00000  120.40000
   59    63    64    80.00000  120.40000
   59    63    70    70.00000  116.00000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   70    63    64    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.65300  1.0 1.0
   42    45    47    50  -0.03850 -1.0 2.0
   42    45    47    50   0.33900  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51  -0.51250  1.0 1.0
   45    47    50    51  -0.88800 -1.0 2.0
   45    47    50    51   0.08850  1.0 3.0
   45    47    50    67   0.17250  1.0 1.0
   45    47    50    67  -0.04100 -1.0 2.0
   45    47    50    67  -0.33850  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50    51    54   7.00000 -1.0 2.0
   47    50    67    62   0.09700  1.0 1.0
   47    50    67    62   0.15600 -1.0 2.0
   47    50    67    62  -0.50800  1.0 3.0
   47    50    67    68   0.34800  1.0 3.0
   47    50    67    69   0.34800  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    67   0.34800  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    67   0.34800  1.0 3.0
   50    51    52    53   0.00000  1.0 1.0
   50    51    52    56   1.44450  1.0 1.0
   50    51    52    56   0.06600 -1.0 2.0
   50    51    52    56   0.29250  1.0 3.0
   50    51    52    57   0.67800  1.0 1.0
   50    51    52    57   0.47050 -1.0 2.0
   50    51    52    57  -0.62500  1.0 3.0
   50    51    54    55   1.00000 -1.0 2.0
   50    51    54    59  -0.33500  1.0 1.0
   50    51    54    59   1.06600 -1.0 2.0
   50    51    54    59  -0.14000  1.0 3.0
   51    50    67    62   1.44450  1.0 1.0
   51    50    67    62   0.06600 -1.0 2.0
   51    50    67    62   0.29250  1.0 3.0
   51    50    67    68   0.00000  1.0 1.0
   51    50    67    69   0.00000  1.0 1.0
   51    52   -56    62   0.18050 -1.0 2.0
   51    52    56    79   0.18050 -1.0 2.0
   51    52    57    58  -0.07800  1.0 1.0
   51    52    57    58  -0.21500 -1.0 2.0
   51    52    57    58  -0.03150  1.0 3.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    61   0.00000  1.0 1.0
   51    54    59    63   0.65300  1.0 1.0
   51    54    59    63  -0.03850 -1.0 2.0
   51    54    59    63   0.33900  1.0 3.0
   52    51    54    55  -0.64400  1.0 1.0
   52    51    54    55   0.26850 -1.0 2.0
   52    51    54    59   0.25700  1.0 1.0
   52    51    54    59   0.66200 -1.0 2.0
   52    51    54    59   0.04450  1.0 3.0
   52    56    62    65   3.62500 -1.0 2.0
   52    56    62    67   3.62500 -1.0 2.0
   52    56    79    75   3.62500 -1.0 2.0
   52    56    79    80   3.62500 -1.0 2.0
   53    52    56    62   0.00000  1.0 1.0
   53    52    56    79   0.00000  1.0 1.0
   53    52    57    58   0.19450  1.0 3.0
   56    52    57    58   0.31900  1.0 1.0
   56    52    57    58  -0.11800 -1.0 2.0
   56    52    57    58   0.38750  1.0 3.0
   56    62    65    66   3.62500 -1.0 2.0
   56    62    65    74   3.62500 -1.0 2.0
   56    62   -67    50   0.18050 -1.0 2.0
   56    62    67    68   0.00000  1.0 1.0
   56    62    67    69   0.00000  1.0 1.0
   56    79    80    81   0.84100 -1.0 2.0
   62    56    79    75   3.62500 -1.0 2.0
   62    56    79    80   3.62500 -1.0 2.0
   62    65   -74    75   3.62500 -1.0 2.0
   62    65    74    77   3.62500 -1.0 2.0
   65    62    67    50   0.18050 -1.0 2.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    74    75    76   3.62500 -1.0 2.0
   65    74    75    79   3.62500 -1.0 2.0
   65    74    77    78   0.84100 -1.0 2.0
   66    65    74    75   3.62500 -1.0 2.0
   66    65    74    77   3.62500 -1.0 2.0
   74    75   -79    56   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79    80    81   0.84100 -1.0 2.0
   76    75    79    56   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    56   -62    65   3.62500 -1.0 2.0
   79    56    62    67   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   67    50   -51    52   7.00000 -1.0 2.0
   67    50    51    54   7.00000 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    74   3.62500 -1.0 2.0
   57    52    56    62   0.14300 -1.0 2.0
   57    52    56    62   0.00300  1.0 3.0
   57    52    56    79   0.14300 -1.0 2.0
   57    52    56    79   0.00300  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    56   0.09700  1.0 1.0
   54    51    52    56   0.15600 -1.0 2.0
   54    51    52    56  -0.50800  1.0 3.0
   54    51    52    57   0.09700  1.0 1.0
   54    51    52    57   0.15600 -1.0 2.0
   54    51    52    57  -0.50800  1.0 3.0
   54    59    63    64   0.30150 -1.0 2.0
   54    59    63    70   0.65300  1.0 1.0
   54    59    63    70  -0.03850 -1.0 2.0
   54    59    63    70   0.33900  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    63   0.30150 -1.0 2.0
   59    63    70    71   0.00000  1.0 1.0
   59    63    70    72   0.00000  1.0 1.0
   59    63    70    73   0.00000  1.0 1.0
   60    59    63    64   0.00000  1.0 1.0
   60    59    63    70   0.00000  1.0 1.0
   61    59    63    64   0.00000  1.0 1.0
   61    59    63    70   0.00000  1.0 1.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   64    63    70    73   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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   47    67    50    51   1.10000 -1.0 2.0
   54    52    51    50   1.10000 -1.0 2.0
   62    79    56    52   4.00000 -1.0 2.0
   65    67    62    56   4.00000 -1.0 2.0
   74    66    65    62   1.10000 -1.0 2.0
   75    77    74    65   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   75    80    79    56   4.00000 -1.0 2.0
   51    59    54    55  10.50000 -1.0 2.0
   59    70    63    64  10.50000 -1.0 2.0
END
