* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    149    223     432
    1     0 S   NP   _N1_     1    28.93172    96.50207   -24.87325
    2     1 S   H    _HN1     2     1.02953    69.06935    21.99240
    3     1 S   H    _H1_     3     1.02833    39.94534  -176.78783
    4     1 S   H    _H2_     4     1.02787   108.72486   -81.05908
    5     1 S   CT   _CA1     5     1.50089   136.34483   120.08693
    6     5 S   HC   _HA1     6     1.09581   105.22799    96.93575
    7     5 S   CO3  _C1_     7     1.53755   112.43594   -23.26019
    8     7 S   O2Z  _O11     8     1.26350   115.02707   -45.21881
    9     7 S   O2Z  _O12     9     1.26240   114.90720   134.01838
   10     5 S   CT   _CB1    10     1.53092   107.44681  -145.21558
   11    10 S   HC   HB11    11     1.09826   109.29552   -51.68457
   12    10 S   HC   HB12    12     1.09815   110.47434    64.88757
   13    10 S   CT   _CG1    13     1.52968   112.58364  -172.77241
   14    13 S   HC   HG11    14     1.09560   110.40584   -65.86504
   15    13 S   HC   HG12    15     1.09664   109.91809    53.36604
   16    13 S   C    _CD1    16     1.51769   112.37930   173.95752
   17    16 S   O    _OE1    17     1.22722   123.28334     4.35208
   18    16 S   N    _N2_    18     1.38634   111.58462  -175.72108
   19    18 S   H    _HN2    19     1.01562   119.04232     1.98130
   20    18 S   CT1  _CA2    20     1.46239   123.47405   178.26765
   21    20 S   HC   _HA2    21     1.09732   109.30181     0.94295
   22    20 S   C    _C2_    22     1.53581   108.94730  -114.57463
   23    22 S   O    _O2_    23     1.23057   122.26793  -152.11896
   24    20 S   CT   _CB2    32     1.53314   111.36342   122.88452
   25    24 S   HC   HB21    33     1.09594   109.89071    55.67028
   26    24 S   HC   HB22    34     1.09462   110.25703   174.84102
   27    22 S   N    _N3_    24     1.38318   113.80959    35.39264
   28    27 S   H    _HN3    25     1.01580   119.50844    -3.46464
   29    24 S   S    _SG2    35     1.82908   111.32895   -65.19410
   30    27 S   CT   _CA3    26     1.45275   123.22747   177.16331
   31    30 S   HC   HA31    27     1.09548   107.49086   -65.36478
   32    30 S   HC   HA32    28     1.09557   108.02501    51.09483
   33    29 S   CT   _C24    36     1.83745    99.44384   169.07946
   34    33 S   HC   _H3_    37     1.09452   107.68027   -47.50699
   35    30 S   CO3  _C3_    29     1.52949   114.04996   173.09919
   36    35 S   O2Z  _O31    30     1.26382   116.04268    -0.78808
   37    35 S   O2Z  _O32    31     1.26425   114.42201   179.29224
   38    33 S   CM   _C16    38     1.51109   108.76495    73.00172
   39    38 S   HC   _H34    39     1.08964   115.48003    62.11294
   40    33 S   CT   _C23    64     1.54338   111.08725  -166.51613
   41    40 S   HC   _H47    65     1.09908   109.87208   -59.70453
   42    40 S   HC   _H48    66     1.09877   108.57962  -174.70321
   43    38 S   CMA  _C17    40     1.35245   125.67279  -119.73739
   44    43 S   OM   _O22    41     1.26214   131.27563     1.92376
   45    40 S   CT   _C21    67     1.53737   115.75034    63.04006
   46    45 S   HC   _H43    68     1.09612   110.64585   -63.49289
   47    45 S   HC   _H44    69     1.09821   108.62771  -178.28457
   48    43 S   CT   _C22    42     1.53328   116.79086  -178.88302
   49    48 S   HC   _H45    43     1.09961   110.03689   -19.82927
   50    48 S   HC   _H46    44     1.10054   109.95082  -134.30076
   51    45 S   CA   _C11    70     1.50913   113.89527    61.41879
   52    48 S   CT   _C20    45     1.54124   114.61159   102.99016
   53    52 S   HC   _H41    46     1.09794   108.86267   176.34988
   54    52 S   HC   _H42    47     1.09749   110.50914    61.14401
   55    51 S   CA   _C5_    71     1.40045   120.26413    70.29166
   56    55 S   HA   _H29    72     1.08693   120.28277     0.77304
   57    52 S   CA   _C10    48     1.51067   113.43062   -62.83126
   58    55 S   CA   _C7_    73     1.39298   120.43685  -179.13114
   59    58 S   HA   _H31    74     1.08603   119.37739   179.75213
   60    57 S   CA   _C4_    49     1.39990   120.42326   -78.38994
   61    60 S   HA   _H28    50     1.08706   120.30729    -1.41167
   62    58 S   CA   _C13    75     1.39466   119.61975    -0.25023
   63    60 S   CA   _C6_    51     1.39338   120.31266   178.15220
   64    63 S   HA   _H30    52     1.08608   119.35832  -179.90309
   65    62 S   CA   _C15    76     1.39976   121.13116    -0.14537
   66    62 S   OH   _O24    84     1.37051   119.77795   180.00000
   67    66 S   HO   _H51    85     0.97194   108.72946    -0.72226
   68    63 S   CA   _C12    53     1.39531   119.67831    -0.20842
   69    51 S   CA   _C9_    77     1.40549   120.43370  -109.23944
   70    69 S   HA   _H33    78     1.08631   118.21648    -0.31341
   71    65 S   OS   _O26    79     1.37075   116.05273  -179.82529
   72    68 S   CA   _C14    54     1.39950   121.13924     0.12667
   73    68 S   OH   _O23    62     1.37052   119.78473  -179.72589
   74    73 S   HO   _H50    63     0.97196   108.72531     0.25944
   75    71 S   CT   _C19    80     1.42217   117.05503   176.88592
   76    75 S   HC   _H38    81     1.09420   107.82525  -177.49259
   77    75 S   HC   _H39    82     1.09465   110.95486    64.81537
   78    75 S   HC   _H40    83     1.09476   111.17292   -59.63683
   79    57 S   CA   _C8_    55     1.40548   120.19016    99.67977
   80    79 S   HA   _H32    56     1.08649   118.00108     1.10677
   81    72 S   OS   _O25    57     1.37070   116.18751  -179.54759
   82    81 S   CT   _C18    58     1.42240   117.00495  -179.94766
   83    82 S   HC   _H35    59     1.09425   107.76225  -179.29031
   84    82 S   HC   _H36    60     1.09498   111.07912    62.95031
   85    82 S   HC   _H37    61     1.09470   111.22630   -61.52507
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4   9   5   4   8   4   9   4   3   8
   5   4   9   9   4   3   8   4   9   7   3   8   4   7   7   3
   9   3   1   7   3   1   4   9   3   1   3   2   1   1   3   1
   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    52    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    51    55    69    43  
   42    45    46    47    51  
   45    46    47    51  
   44    48    49    50    52    53    54    57  
   48    49    50    52  
   46    47    51    55    56    58    65    69    70  
   47    51    55    69  
   51    55    69  
   49    50    52    53    54    57    60    79  
   50    52    53    54    57  
   52    53    54    57  
   55    56    58    59    62    65    69    70    71  
   53    54    57    60    61    63    72    79    80  
   54    57    60    79  
   57    60    79  
   56    58    59    62    65    69    70    66  
   58    59    62    69  
   60    61    63    64    68    72    79    80    81  
   59    62    65    69    71    66    67  
   62    65    66  
   61    63    64    68    72    79    80    73  
   63    64    68    79  
   65    69    70    71    75    66    67  
   64    68    72    79    81    73    74  
   68    72    73  
   69    70    71    75    76    77    78    66    67  
   67    69    71  
    0  
   72    79    80    81    82    73    74  
   70    71    75  
   71  
   75    76    77    78  
   79    80    81    82    83    84    85    73    74  
   74    79    81  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    60   469.000  1.400
   57    79   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    72   469.000  1.400
   68    73   450.000  1.364
   72    79   469.000  1.400
   72    81   450.000  1.364
   79    80   367.000  1.080
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   73    74   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    55   469.000  1.400
   51    69   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    69   469.000  1.400
   65    71   450.000  1.364
   69    70   367.000  1.080
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    48    49    45.00000  110.52000
   43    48    50    45.00000  110.52000
   43    48    52    70.00000  112.02700
   48    43    44    85.00000  112.85300
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    70.00000  112.17500
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    60    70.00000  120.00000
   52    57    79    70.00000  120.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    63    63.00000  120.00000
   57    79    72    63.00000  120.00000
   57    79    80    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    68    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    68    72    63.00000  120.00000
   63    68    73    70.00000  120.00000
   68    63    64    35.00000  120.00000
   68    72    79    63.00000  120.00000
   68    72    81    70.00000  120.00000
   68    73    74    35.00000  113.00000
   72    79    80    35.00000  120.00000
   72    81    82    75.00000  111.00000
   79    57    60    63.00000  120.00000
   81    72    79    70.00000  120.00000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   73    68    72    70.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    51    70.00000  112.17500
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    51    55    70.00000  120.00000
   45    51    69    70.00000  120.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   51    69    65    63.00000  120.00000
   51    69    70    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    62    65    63.00000  120.00000
   58    62    66    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    69    63.00000  120.00000
   62    65    71    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    69    70    35.00000  120.00000
   65    71    75    75.00000  111.00000
   69    51    55    63.00000  120.00000
   71    65    69    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    62    65    70.00000  120.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    51  -0.03700  1.0 1.0
   33    40    45    51   0.37200 -1.0 2.0
   33    40    45    51  -0.47300  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    50   0.00000  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.15000  1.0 3.0
   43    48    52    54   0.15000  1.0 3.0
   43    48    52    57   0.21200  1.0 1.0
   43    48    52    57   0.16900 -1.0 2.0
   43    48    52    57  -1.15100  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    52   0.09700  1.0 1.0
   44    43    48    52   0.15600 -1.0 2.0
   44    43    48    52  -0.50800  1.0 3.0
   48    52    57    60   0.04150 -1.0 2.0
   48    52    57    79   0.04150 -1.0 2.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.43200  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    57   0.43200  1.0 3.0
   52    57    60    61   3.62500 -1.0 2.0
   52    57    60    63   3.62500 -1.0 2.0
   52    57    79    72   3.62500 -1.0 2.0
   52    57    79    80   3.62500 -1.0 2.0
   53    52    57    60   0.00000  1.0 1.0
   53    52    57    79   0.00000  1.0 1.0
   54    52    57    60   0.00000  1.0 1.0
   54    52    57    79   0.00000  1.0 1.0
   57    60    63    64   3.62500 -1.0 2.0
   57    60    63    68   3.62500 -1.0 2.0
   60    57    79    72   3.62500 -1.0 2.0
   60    57    79    80   3.62500 -1.0 2.0
   60    63   -68    72   3.62500 -1.0 2.0
   60    63    68    73   3.62500 -1.0 2.0
   61    60    63    64   3.62500 -1.0 2.0
   61    60    63    68   3.62500 -1.0 2.0
   63    68    72    79   3.62500 -1.0 2.0
   63    68    72    81   3.62500 -1.0 2.0
   63    68    73    74   0.84100 -1.0 2.0
   64    63    68    72   3.62500 -1.0 2.0
   64    63    68    73   3.62500 -1.0 2.0
   68    72   -79    57   3.62500 -1.0 2.0
   68    72    79    80   3.62500 -1.0 2.0
   68    72    81    82   1.63200 -1.0 2.0
   72    68    73    74   0.84100 -1.0 2.0
   72    81    82    83   0.08050  1.0 3.0
   72    81    82    84   0.08050  1.0 3.0
   72    81    82    85   0.08050  1.0 3.0
   79    57    60    61   3.62500 -1.0 2.0
   79    57   -60    63   3.62500 -1.0 2.0
   79    72    81    82   1.63200 -1.0 2.0
   81    72    79    57   3.62500 -1.0 2.0
   81    72    79    80   3.62500 -1.0 2.0
   73    68    72    79   3.62500 -1.0 2.0
   73    68    72    81   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    55   0.04150 -1.0 2.0
   40    45    51    69   0.04150 -1.0 2.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    51   0.43200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    51   0.43200  1.0 3.0
   45    51    55    56   3.62500 -1.0 2.0
   45    51    55    58   3.62500 -1.0 2.0
   45    51    69    65   3.62500 -1.0 2.0
   45    51    69    70   3.62500 -1.0 2.0
   46    45    51    55   0.00000  1.0 1.0
   46    45    51    69   0.00000  1.0 1.0
   47    45    51    55   0.00000  1.0 1.0
   47    45    51    69   0.00000  1.0 1.0
   51    55    58    59   3.62500 -1.0 2.0
   51    55    58    62   3.62500 -1.0 2.0
   55    51    69    65   3.62500 -1.0 2.0
   55    51    69    70   3.62500 -1.0 2.0
   55    58   -62    65   3.62500 -1.0 2.0
   55    58    62    66   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62    65    69   3.62500 -1.0 2.0
   58    62    65    71   3.62500 -1.0 2.0
   58    62    66    67   0.84100 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   59    58    62    66   3.62500 -1.0 2.0
   62    65   -69    51   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    71    75   1.63200 -1.0 2.0
   65    62    66    67   0.84100 -1.0 2.0
   65    71    75    76   0.08050  1.0 3.0
   65    71    75    77   0.08050  1.0 3.0
   65    71    75    78   0.08050  1.0 3.0
   69    51    55    56   3.62500 -1.0 2.0
   69    51   -55    58   3.62500 -1.0 2.0
   69    65    71    75   1.63200 -1.0 2.0
   71    65    69    51   3.62500 -1.0 2.0
   71    65    69    70   3.62500 -1.0 2.0
   66    62    65    69   3.62500 -1.0 2.0
   66    62    65    71   3.62500 -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    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   60    79    57    52   4.00000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   68    64    63    60   1.10000 -1.0 2.0
   72    73    68    63   4.00000 -1.0 2.0
   79    81    72    68   4.00000 -1.0 2.0
   72    80    79    57   1.10000 -1.0 2.0
   55    69    51    45   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   65    66    62    58   4.00000 -1.0 2.0
   69    71    65    62   4.00000 -1.0 2.0
   65    70    69    51   1.10000 -1.0 2.0
END
