* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    144    217     413
    1     0 S   NP   _N1_     1    28.74458    95.73063   -24.13461
    2     1 S   H    _HN1     2     1.02949    74.55826    16.61675
    3     1 S   H    _H1_     3     1.02830    33.90407   179.85196
    4     1 S   H    _H2_     4     1.02788   110.04366   -87.69098
    5     1 S   CT   _CA1     5     1.50110   132.65598   120.37145
    6     5 S   HC   _HA1     6     1.09574   105.19813    90.19346
    7     5 S   CO3  _C1_     7     1.53785   112.41903   -30.05077
    8     7 S   O2Z  _O11     8     1.26374   115.00998   -43.75021
    9     7 S   O2Z  _O12     9     1.26237   114.93517   135.35680
   10     5 S   CT   _CB1    10     1.53081   107.42530  -151.83915
   11    10 S   HC   HB11    11     1.09835   109.37427   -49.76882
   12    10 S   HC   HB12    12     1.09813   110.45928    66.83456
   13    10 S   CT   _CG1    13     1.53003   112.60150  -170.73463
   14    13 S   HC   HG11    14     1.09581   110.64606   -65.60295
   15    13 S   HC   HG12    15     1.09669   109.77798    53.63173
   16    13 S   C    _CD1    16     1.51799   112.17785   174.09372
   17    16 S   O    _OE1    17     1.22754   123.26206     7.65463
   18    16 S   N    _N2_    18     1.38669   111.70776  -172.46566
   19    18 S   H    _HN2    19     1.01579   119.05389     1.28953
   20    18 S   CT1  _CA2    20     1.46111   123.25640   177.55648
   21    20 S   HC   _HA2    21     1.09717   109.25159     2.70393
   22    20 S   C    _C2_    22     1.53530   108.79092  -112.65736
   23    22 S   O    _O2_    23     1.23060   122.30083  -148.28639
   24    20 S   CT   _CB2    32     1.53271   111.87803   124.51463
   25    24 S   HC   HB21    33     1.09551   110.59234    58.39445
   26    24 S   HC   HB22    34     1.09524   109.45232   177.34318
   27    22 S   N    _N3_    24     1.38333   113.68571    39.19165
   28    27 S   H    _HN3    25     1.01580   119.56580    -3.35573
   29    24 S   S    _SG2    35     1.82706   111.54573   -62.66387
   30    27 S   CT   _CA3    26     1.45282   123.23109   177.03819
   31    30 S   HC   HA31    27     1.09549   107.51059   -64.63323
   32    30 S   HC   HA32    28     1.09556   107.98658    51.81094
   33    29 S   CT   _C22    36     1.84403    99.35874  -165.37365
   34    33 S   HC   _H3_    37     1.09470   109.42919    31.66375
   35    30 S   CO3  _C3_    29     1.52963   114.06559   173.81620
   36    35 S   O2Z  _O31    30     1.26379   116.06614    -0.32445
   37    35 S   O2Z  _O32    31     1.26426   114.42232   179.74207
   38    33 S   CM   _C17    38     1.50706   107.98404   -84.22922
   39    38 S   HC   _H37    39     1.08938   116.34233    75.88499
   40    38 S   CMA  _C18    40     1.34898   124.85085  -104.93401
   41    40 S   OM   _O23    41     1.26098   129.59165  -178.98201
   42    40 S   CM   _C19    42     1.47595   116.42956     1.50063
   43    42 S   CM   _C16    43     1.34671   122.06496   -12.63189
   44    43 S   HC   _H36    44     1.08581   117.66791  -175.36021
   45    42 S   OS   _O28    79     1.39258   117.81156   172.31252
   46    33 S   CM   _C20    45     1.53395   108.82172   151.07352
   47    45 S   CT   _C25    80     1.42735   110.72287  -104.24871
   48    47 S   HC   _H45    81     1.09396   107.88310   175.21022
   49    47 S   HC   _H46    82     1.09558   111.25493    56.72573
   50    47 S   HC   _H47    83     1.09513   111.06797   -66.53981
   51    46 S   CM   _C21    46     1.36498   123.42483   -83.03830
   52    51 S   CA   _C10    47     1.48642   120.05934     0.46562
   53    51 S   CA   _C11    63     1.48559   120.94220  -179.39899
   54    52 S   CA   _C4_    48     1.40025   120.17138   -87.33163
   55    54 S   HA   _H30    49     1.08737   120.62961    -0.15323
   56    53 S   CA   _C5_    64     1.40019   120.07084    88.23618
   57    56 S   HA   _H31    65     1.08733   120.65253    -0.45197
   58    54 S   CA   _C6_    50     1.39327   120.08291   179.29279
   59    58 S   HA   _H32    51     1.08618   119.37055  -179.64064
   60    56 S   CA   _C7_    66     1.39307   120.03691   179.73312
   61    60 S   HA   _H33    67     1.08616   119.37014   179.86152
   62    58 S   CA   _C12    52     1.39563   119.68720     0.10087
   63    60 S   CA   _C13    68     1.39569   119.66770    -0.11191
   64    62 S   CA   _C14    53     1.40002   121.20670     0.32143
   65    62 S   OH   _O24    61     1.37042   119.77065  -179.60091
   66    65 S   HO   _H48    62     0.97202   108.81965     0.45456
   67    63 S   CA   _C15    69     1.40060   121.22978    -0.01978
   68    63 S   OH   _O25    77     1.37059   119.74988   179.98022
   69    68 S   HO   _H49    78     0.97206   108.80340    -0.03956
   70    52 S   CA   _C8_    54     1.40530   120.12719    93.00506
   71    70 S   HA   _H34    55     1.08649   118.40764     0.41918
   72    64 S   OS   _O26    56     1.37047   116.16814  -179.74744
   73    53 S   CA   _C9_    70     1.40523   120.07023   -92.26223
   74    73 S   HA   _H35    71     1.08640   118.40166     0.54536
   75    67 S   OS   _O27    72     1.37065   116.09473   179.97202
   76    72 S   CT   _C23    57     1.42262   117.12002   176.55605
   77    76 S   HC   _H39    58     1.09424   107.74454  -177.70450
   78    76 S   HC   _H40    59     1.09492   111.03836    64.60194
   79    76 S   HC   _H41    60     1.09487   111.28428   -59.91558
   80    75 S   CT   _C24    73     1.42237   117.12332  -179.95577
   81    80 S   HC   _H42    74     1.09429   107.74492  -179.96574
   82    80 S   HC   _H43    75     1.09501   111.13939    62.30990
   83    80 S   HC   _H44    76     1.09503   111.14735   -62.23566
  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   8   5   4   3
  12   6   2   1   1   8   4   7   3   9   7   3   5   7   3   2
   1   1  14  12  11   8   4   8   4   7   3   7   3   7   7   9
   3   1   9   3   1   3   1   4   3   1   4   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    51    52    53  
   38    39    40    43    46    51  
   36    37  
   37  
    0  
   39    40    41    42    43    46    51    45  
   40    41    42    46  
   41    42    43    44    46    45    47  
   42    43    45  
   43    44    46    51    45    47    48    49    50  
   44    46    51    52    53    45    47  
   46    51    45  
   47    48    49    50    46  
   51    52    54    70    53    56    73  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    58    64    70    71    53    56    57    60    67    73    74  
   54    55    58    59    62    64    70    71    72    53    56    73  
   56    57    60    61    63    67    73    74    75    54    70  
   55    58    59    62    64    70    71    65  
   58    59    62    70  
   57    60    61    63    67    73    74    68  
   60    61    63    73  
   59    62    64    70    72    65    66  
   62    64    65  
   61    63    67    73    75    68    69  
   63    67    68  
   64    70    71    72    76    65    66  
   67    73    74    75    80    68    69  
   70    71    72    76    77    78    79    65    66  
   66    70    72  
    0  
   73    74    75    80    81    82    83    68    69  
   69    73    75  
    0  
   71    72    76  
   72  
   76    77    78    79  
   74    75    80  
   75  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   440.000  1.360
   43    44   340.000  1.080
   43    46   380.000  1.444
   46    51   549.000  1.340
   51    52   320.000  1.460
   51    53   320.000  1.460
   52    54   469.000  1.400
   52    70   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    65   450.000  1.364
   64    70   469.000  1.400
   64    72   450.000  1.364
   70    71   367.000  1.080
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   65    66   553.000  0.945
   53    56   469.000  1.400
   53    73   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    67   469.000  1.400
   63    68   450.000  1.364
   67    73   469.000  1.400
   67    75   450.000  1.364
   73    74   367.000  1.080
   75    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   68    69   553.000  0.945
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    70.00000  124.00000
   33    46    51    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    80.00000  120.01400
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    46    70.00000  123.01800
   42    45    47    90.00000  111.18400
   43    46    51    70.00000  123.01800
   46    33    34    35.00000  109.50000
   46    33    38    70.00000  110.12100
   46    43    44    35.00000  120.00000
   46    51    52    60.00000  123.20500
   46    51    53    60.00000  123.20500
   51    52    54    60.00000  120.93500
   51    52    70    60.00000  120.93500
   51    53    56    60.00000  120.93500
   51    53    73    60.00000  120.93500
   52    54    55    35.00000  120.00000
   52    54    58    63.00000  120.00000
   52    70    64    63.00000  120.00000
   52    70    71    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    62    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    65    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    70    63.00000  120.00000
   62    64    72    70.00000  120.00000
   62    65    66    35.00000  113.00000
   64    70    71    35.00000  120.00000
   64    72    76    75.00000  111.00000
   70    52    54    63.00000  120.00000
   72    64    70    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   65    62    64    70.00000  120.00000
   53    51    52    60.00000  122.92000
   53    56    57    35.00000  120.00000
   53    56    60    63.00000  120.00000
   53    73    67    63.00000  120.00000
   53    73    74    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    63    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    63    67    63.00000  120.00000
   60    63    68    70.00000  120.00000
   63    60    61    35.00000  120.00000
   63    67    73    63.00000  120.00000
   63    67    75    70.00000  120.00000
   63    68    69    35.00000  113.00000
   67    73    74    35.00000  120.00000
   67    75    80    75.00000  111.00000
   73    53    56    63.00000  120.00000
   75    67    73    70.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   68    63    67    70.00000  120.00000
   45    42    43    80.00000  120.01400
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.42700  1.0 1.0
   29    33    46    43  -0.70350 -1.0 2.0
   29    33    46    43  -0.43150  1.0 3.0
   29    33    46    51   0.42700  1.0 1.0
   29    33    46    51  -0.70350 -1.0 2.0
   29    33    46    51  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    51    52   7.00000 -1.0 2.0
   33    46    51    53   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.00000  1.0 1.0
   34    33    46    51   0.00000  1.0 1.0
   38    33    46    43  -0.28300  1.0 1.0
   38    33    46    43   0.26700 -1.0 2.0
   38    33    46    43  -0.63300  1.0 3.0
   38    33    46    51  -0.28300  1.0 1.0
   38    33    46    51   0.26700 -1.0 2.0
   38    33    46    51  -0.63300  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    46   7.00000 -1.0 2.0
   40    42    45    47  -2.26850  1.0 1.0
   40    42    45    47   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -46    33  -0.18600  1.0 3.0
   42    43    46    51   0.28850  1.0 1.0
   42    43    46    51   2.61350 -1.0 2.0
   42    43    46    51   0.78400  1.0 3.0
   42    45    47    48   0.08050  1.0 3.0
   42    45    47    49   0.08050  1.0 3.0
   42    45    47    50   0.08050  1.0 3.0
   43    42    45    47  -2.26850  1.0 1.0
   43    42    45    47   3.39050 -1.0 2.0
   43    46    51    52   7.00000 -1.0 2.0
   43    46    51    53   7.00000 -1.0 2.0
   44    43    46    33   0.00000  1.0 1.0
   44    43    46    51  -0.18600  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   46    51    52    54   0.15800  1.0 1.0
   46    51    52    54   1.85350 -1.0 2.0
   46    51    52    54  -0.48700  1.0 3.0
   46    51    52    70   0.15800  1.0 1.0
   46    51    52    70   1.85350 -1.0 2.0
   46    51    52    70  -0.48700  1.0 3.0
   46    51    53    56   0.15800  1.0 1.0
   46    51    53    56   1.85350 -1.0 2.0
   46    51    53    56  -0.48700  1.0 3.0
   46    51    53    73   0.15800  1.0 1.0
   46    51    53    73   1.85350 -1.0 2.0
   46    51    53    73  -0.48700  1.0 3.0
   51    52    54    55   3.62500 -1.0 2.0
   51    52    54    58   3.62500 -1.0 2.0
   51    52    70    64   3.62500 -1.0 2.0
   51    52    70    71   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    60   3.62500 -1.0 2.0
   51    53    73    67   3.62500 -1.0 2.0
   51    53    73    74   3.62500 -1.0 2.0
   52    51    53    56  -0.01750  1.0 1.0
   52    51    53    56  -0.32000 -1.0 2.0
   52    51    53    56   0.00600  1.0 3.0
   52    51    53    73  -0.01750  1.0 1.0
   52    51    53    73  -0.32000 -1.0 2.0
   52    51    53    73   0.00600  1.0 3.0
   52    54    58    59   3.62500 -1.0 2.0
   52    54    58    62   3.62500 -1.0 2.0
   54    52    70    64   3.62500 -1.0 2.0
   54    52    70    71   3.62500 -1.0 2.0
   54    58   -62    64   3.62500 -1.0 2.0
   54    58    62    65   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    62   3.62500 -1.0 2.0
   58    62    64    70   3.62500 -1.0 2.0
   58    62    64    72   3.62500 -1.0 2.0
   58    62    65    66   0.84100 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   62    64   -70    52   3.62500 -1.0 2.0
   62    64    70    71   3.62500 -1.0 2.0
   62    64    72    76   1.63200 -1.0 2.0
   64    62    65    66   0.84100 -1.0 2.0
   64    72    76    77   0.08050  1.0 3.0
   64    72    76    78   0.08050  1.0 3.0
   64    72    76    79   0.08050  1.0 3.0
   70    52    54    55   3.62500 -1.0 2.0
   70    52   -54    58   3.62500 -1.0 2.0
   70    64    72    76   1.63200 -1.0 2.0
   72    64    70    52   3.62500 -1.0 2.0
   72    64    70    71   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    72   3.62500 -1.0 2.0
   53    51    52    54  -0.01750  1.0 1.0
   53    51    52    54  -0.32000 -1.0 2.0
   53    51    52    54   0.00600  1.0 3.0
   53    51    52    70  -0.01750  1.0 1.0
   53    51    52    70  -0.32000 -1.0 2.0
   53    51    52    70   0.00600  1.0 3.0
   53    56    60    61   3.62500 -1.0 2.0
   53    56    60    63   3.62500 -1.0 2.0
   56    53    73    67   3.62500 -1.0 2.0
   56    53    73    74   3.62500 -1.0 2.0
   56    60   -63    67   3.62500 -1.0 2.0
   56    60    63    68   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    63    67    73   3.62500 -1.0 2.0
   60    63    67    75   3.62500 -1.0 2.0
   60    63    68    69   0.84100 -1.0 2.0
   61    60    63    67   3.62500 -1.0 2.0
   61    60    63    68   3.62500 -1.0 2.0
   63    67   -73    53   3.62500 -1.0 2.0
   63    67    73    74   3.62500 -1.0 2.0
   63    67    75    80   1.63200 -1.0 2.0
   67    63    68    69   0.84100 -1.0 2.0
   67    75    80    81   0.08050  1.0 3.0
   67    75    80    82   0.08050  1.0 3.0
   67    75    80    83   0.08050  1.0 3.0
   73    53    56    57   3.62500 -1.0 2.0
   73    53   -56    60   3.62500 -1.0 2.0
   73    67    75    80   1.63200 -1.0 2.0
   75    67    73    53   3.62500 -1.0 2.0
   75    67    73    74   3.62500 -1.0 2.0
   68    63    67    73   3.62500 -1.0 2.0
   68    63    67    75   3.62500 -1.0 2.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   33    43    46    51   1.10000 -1.0 2.0
   52    53    51    46   1.10000 -1.0 2.0
   54    70    52    51   4.00000 -1.0 2.0
   58    55    54    52   1.10000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   64    65    62    58   4.00000 -1.0 2.0
   70    72    64    62   4.00000 -1.0 2.0
   64    71    70    52   1.10000 -1.0 2.0
   56    73    53    51   4.00000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   63    61    60    56   1.10000 -1.0 2.0
   67    68    63    60   4.00000 -1.0 2.0
   73    75    67    63   4.00000 -1.0 2.0
   67    74    73    53   1.10000 -1.0 2.0
END
