* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    149    223     432
    1     0 S   NP   _N1_     1    28.41994    96.65090   -25.01241
    2     1 S   H    _HN1     2     1.02780   113.26000  -113.08934
    3     1 S   H    _H1_     3     1.02961    77.70993    -8.24029
    4     1 S   H    _H2_     4     1.02838    29.84742   161.38725
    5     1 S   CT   _CA1     5     1.50122   127.81231    98.19312
    6     5 S   HC   _HA1     6     1.09573   105.24386    87.63089
    7     5 S   CO3  _C1_     7     1.53805   112.26776   -32.60852
    8     7 S   O2Z  _O11     8     1.26360   115.01856   -46.11993
    9     7 S   O2Z  _O12     9     1.26223   114.91644   132.92326
   10     5 S   CT   _CB1    10     1.53071   107.41065  -154.46643
   11    10 S   HC   HB11    11     1.09830   109.42212   -50.42725
   12    10 S   HC   HB12    12     1.09790   110.38650    66.05185
   13    10 S   CT   _CG1    13     1.53015   112.65068  -171.41496
   14    13 S   HC   HG11    14     1.09536   110.65102   -61.62916
   15    13 S   HC   HG12    15     1.09657   109.85618    57.44604
   16    13 S   C    _CD1    16     1.51837   112.23402   177.71193
   17    16 S   O    _OE1    17     1.22757   123.27098    -1.34872
   18    16 S   N    _N2_    18     1.38567   111.76760   179.11640
   19    18 S   H    _HN2    19     1.01567   119.02632     3.38194
   20    18 S   CT1  _CA2    20     1.45801   122.73994   176.27311
   21    20 S   HC   _HA2    21     1.09731   108.91806    27.04439
   22    20 S   C    _C2_    22     1.53011   106.94598   -89.89702
   23    22 S   O    _O2_    23     1.22975   123.10376   -26.61536
   24    20 S   CT   _CB2    32     1.53182   112.28987   150.53549
   25    24 S   HC   HB21    33     1.09591   110.14353    51.68219
   26    24 S   HC   HB22    34     1.09438   109.92716   170.56852
   27    22 S   N    _N3_    24     1.38510   112.52228   156.13952
   28    27 S   H    _HN3    25     1.01654   120.33352    -2.31621
   29    24 S   S    _SG2    35     1.82587   111.35201   -69.58243
   30    27 S   CT   _CA3    26     1.45357   122.52562   178.52687
   31    30 S   HC   HA31    27     1.09566   107.88046   -54.34225
   32    30 S   HC   HA32    28     1.09560   107.55656    62.01278
   33    29 S   CT   _C24    36     1.84355    99.85107   165.46330
   34    33 S   HC   _H3_    37     1.09552   107.07539   -51.04006
   35    30 S   CO3  _C3_    29     1.52896   114.28908  -176.27522
   36    35 S   O2Z  _O31    30     1.26340   116.04493     0.39466
   37    35 S   O2Z  _O32    31     1.26432   114.41853  -179.66370
   38    33 S   CM   _C16    38     1.51203   107.15152  -169.88162
   39    38 S   HC   _H34    39     1.08974   115.48524   -66.64584
   40    33 S   CT   _C23    64     1.53932   111.22434    68.25564
   41    40 S   HC   _H47    65     1.09886   110.36313    60.70439
   42    40 S   HC   _H48    66     1.09652   109.97088   -56.37905
   43    38 S   CMA  _C17    40     1.35233   125.71856   114.25231
   44    43 S   OM   _O22    41     1.26207   131.21657    -0.13706
   45    40 S   CT   _C21    67     1.53609   112.48465  -176.80727
   46    45 S   HC   _H43    68     1.09743   110.02850    54.97995
   47    45 S   HC   _H44    69     1.09671   110.95761   -62.05301
   48    43 S   CT   _C22    42     1.53276   116.91969   178.00571
   49    48 S   HC   _H45    43     1.09959   109.97551   -24.97827
   50    48 S   HC   _H46    44     1.10089   109.91415  -139.22392
   51    45 S   CA   _C11    70     1.50964   111.46654   176.54952
   52    48 S   CT   _C20    45     1.53993   114.47318    98.48732
   53    52 S   HC   _H41    46     1.09809   108.77542   170.01489
   54    52 S   HC   _H42    47     1.09735   110.68190    54.69494
   55    51 S   CA   _C5_    71     1.40006   120.32670   -92.32295
   56    55 S   HA   _H29    72     1.08718   120.36555    -0.79179
   57    52 S   CA   _C10    48     1.51061   113.46242   -69.70086
   58    55 S   CA   _C7_    73     1.39332   120.31891   179.12018
   59    58 S   HA   _H31    74     1.08613   119.37710   179.87805
   60    57 S   CA   _C4_    49     1.40080   120.18711   -76.08996
   61    60 S   HA   _H28    50     1.08714   120.27825    -0.81565
   62    58 S   CA   _C13    75     1.39509   119.65266    -0.23155
   63    60 S   CA   _C6_    51     1.39298   120.40327   178.91249
   64    63 S   HA   _H30    52     1.08600   119.39352  -179.89532
   65    62 S   CA   _C15    76     1.39995   121.14728    -0.08623
   66    62 S   OH   _O24    84     1.37047   119.78668  -179.97202
   67    66 S   HO   _H51    85     0.97203   108.79408    -0.14127
   68    63 S   CA   _C12    53     1.39466   119.61381     0.03956
   69    51 S   CA   _C9_    77     1.40540   120.23770    86.25769
   70    69 S   HA   _H33    78     1.08640   118.05498     0.80988
   71    65 S   OS   _O26    79     1.37060   116.09257  -179.80719
   72    68 S   CA   _C14    54     1.39979   121.13870     0.03426
   73    68 S   OH   _O23    62     1.37060   119.76687   180.00000
   74    73 S   HO   _H50    63     0.97188   108.74234     0.31837
   75    71 S   CT   _C19    80     1.42225   117.12718   179.96044
   76    75 S   HC   _H38    81     1.09429   107.74492   179.94766
   77    75 S   HC   _H39    82     1.09499   111.14921    62.21841
   78    75 S   HC   _H40    83     1.09499   111.14326   -62.33313
   79    57 S   CA   _C8_    55     1.40503   120.45730   102.75986
   80    79 S   HA   _H32    56     1.08646   118.10723     0.35388
   81    72 S   OS   _O25    57     1.37035   116.02318   179.98022
   82    81 S   CT   _C18    58     1.42187   117.05927  -178.11342
   83    82 S   HC   _H35    59     1.09357   107.58642   178.87204
   84    82 S   HC   _H36    60     1.09495   111.25101    61.19077
   85    82 S   HC   _H37    61     1.09462   111.12470   -63.40335
  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
