* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    144    217     413
    1     0 S   NP   _N1_     1    29.13737    93.74634   -18.89511
    2     1 S   H    _HN1     2     1.02956   103.49588    22.98659
    3     1 S   H    _H1_     3     1.02845    39.47391   123.61624
    4     1 S   H    _H2_     4     1.02790    71.99463   -82.12773
    5     1 S   CT   _CA1     5     1.50061   141.47750   174.63780
    6     5 S   HC   _HA1     6     1.09566   105.35603    27.44661
    7     5 S   CO3  _C1_     7     1.53899   112.22966   -93.02924
    8     7 S   O2Z  _O11     8     1.26360   115.06351   -48.91140
    9     7 S   O2Z  _O12     9     1.26243   114.90515   130.51261
   10     5 S   CT   _CB1    10     1.53101   107.47052   145.47032
   11    10 S   HC   HB11    11     1.09814   109.70081   -49.97386
   12    10 S   HC   HB12    12     1.09835   110.25950    66.62767
   13    10 S   CT   _CG1    13     1.53013   112.51748  -171.08278
   14    13 S   HC   HG11    14     1.09426   110.26346   -54.50062
   15    13 S   HC   HG12    15     1.09594   110.31750    64.56144
   16    13 S   C    _CD1    16     1.51696   111.86314  -175.12307
   17    16 S   O    _OE1    17     1.22750   122.95475   -20.02556
   18    16 S   N    _N2_    18     1.38580   111.88053   160.62270
   19    18 S   H    _HN2    19     1.01571   119.23801     2.24228
   20    18 S   CT1  _CA2    20     1.46202   123.27152  -176.01710
   21    20 S   HC   _HA2    21     1.09725   109.38007   -12.62836
   22    20 S   C    _C2_    22     1.53351   108.40418  -128.53061
   23    22 S   O    _O2_    23     1.23010   122.28311  -145.54446
   24    20 S   CT   _CB2    32     1.53466   111.30974   109.23302
   25    24 S   HC   HB21    33     1.09612   109.70884    57.28294
   26    24 S   HC   HB22    34     1.09488   110.33141   176.24193
   27    22 S   N    _N3_    24     1.38524   113.34624    41.79534
   28    27 S   H    _HN3    25     1.01524   118.90618    -0.47683
   29    24 S   S    _SG2    35     1.82751   111.77196   -63.41739
   30    27 S   CT   _CA3    26     1.45441   123.37471   175.12380
   31    30 S   HC   HA31    27     1.09528   109.14672    26.13076
   32    30 S   HC   HA32    28     1.09493   107.14451   143.12466
   33    29 S   CT   _C22    36     1.84187    99.40988   171.50793
   34    33 S   HC   _H3_    37     1.09414   109.26183   -31.00766
   35    30 S   CO3  _C3_    29     1.52932   113.17591   -97.27946
   36    35 S   O2Z  _O31    30     1.26397   115.42953   -43.78094
   37    35 S   O2Z  _O32    31     1.26358   114.96255   137.15514
   38    33 S   CM   _C17    38     1.50751   108.10766    84.88703
   39    38 S   HC   _H37    39     1.08930   116.39143   -77.40248
   40    38 S   CMA  _C18    40     1.34924   124.73464   103.43577
   41    40 S   OM   _O23    41     1.26095   129.64742   178.86771
   42    40 S   CM   _C19    42     1.47625   116.37886    -1.70846
   43    42 S   CM   _C16    43     1.34676   121.99766    13.47891
   44    43 S   HC   _H36    44     1.08584   117.81703   175.47632
   45    42 S   OS   _O28    79     1.39238   117.83533  -171.40059
   46    33 S   CM   _C20    45     1.53341   108.68995  -150.72993
   47    45 S   CT   _C25    80     1.42726   110.70341   104.11271
   48    47 S   HC   _H45    81     1.09395   107.88472  -175.26679
   49    47 S   HC   _H46    82     1.09513   111.07284    66.48062
   50    47 S   HC   _H47    83     1.09558   111.24920   -56.78597
   51    46 S   CM   _C21    46     1.36454   123.63466    85.13911
   52    51 S   CA   _C10    47     1.48660   120.30685     0.03956
   53    51 S   CA   _C11    63     1.48672   120.80329   178.98240
   54    52 S   CA   _C4_    48     1.40019   120.29469   -98.55221
   55    54 S   HA   _H30    49     1.08743   120.80797     1.03022
   56    53 S   CA   _C5_    64     1.40072   120.00396   -83.81930
   57    56 S   HA   _H31    65     1.08738   120.62190     0.34605
   58    54 S   CA   _C6_    50     1.39306   120.11418  -178.82098
   59    58 S   HA   _H32    51     1.08605   119.39382   179.55765
   60    56 S   CA   _C7_    66     1.39305   120.07603  -180.00000
   61    60 S   HA   _H33    67     1.08611   119.37121  -179.66254
   62    58 S   CA   _C12    52     1.39484   119.72147    -0.16313
   63    60 S   CA   _C13    68     1.39557   119.65797     0.35718
   64    62 S   CA   _C14    53     1.40001   121.18351     0.29608
   65    62 S   OH   _O24    61     1.37045   119.71961  -179.86294
   66    65 S   HO   _H48    62     0.97228   108.73597    -2.00838
   67    63 S   CA   _C15    69     1.40051   121.21205     0.19979
   68    63 S   OH   _O25    77     1.37059   119.75056  -179.98022
   69    68 S   HO   _H49    78     0.97199   108.78804     0.06256
   70    52 S   CA   _C8_    54     1.40581   120.01899    83.10987
   71    70 S   HA   _H34    55     1.08663   118.31604    -0.90396
   72    64 S   OS   _O26    56     1.37056   116.09547   179.96574
   73    53 S   CA   _C9_    70     1.40507   120.18440    96.74500
   74    73 S   HA   _H35    71     1.08649   118.48428    -0.70721
   75    67 S   OS   _O27    72     1.37081   116.11740   179.82529
   76    72 S   CT   _C23    57     1.42229   117.11713   178.46788
   77    76 S   HC   _H39    58     1.09429   107.74576  -178.90729
   78    76 S   HC   _H40    59     1.09496   111.10468    63.39033
   79    76 S   HC   _H41    60     1.09506   111.18048   -61.15665
   80    75 S   CT   _C24    73     1.42269   116.98462  -173.71419
   81    80 S   HC   _H42    74     1.09427   107.74609   176.58551
   82    80 S   HC   _H43    75     1.09472   111.14170    58.85185
   83    80 S   HC   _H44    76     1.09484   111.08953   -65.73391
  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
