* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    155    253     464
    1     0 S   NP   _N1_     1    29.95342    91.03566   -21.15168
    2     1 S   H    _HN1     2     1.03075   115.90746    74.06538
    3     1 S   H    _H1_     3     1.02700     9.28366    49.70314
    4     1 S   H    _H2_     4     1.03307   107.04975   -44.54326
    5     1 S   CT   _CA1     5     1.49666   103.97581  -163.29551
    6     5 S   HC   _HA1     6     1.09589   105.14984    57.15274
    7     5 S   CO3  _C1_     7     1.53813   112.47989   -62.83628
    8     7 S   O2Z  _O11     8     1.26338   115.32085   -51.18322
    9     7 S   O2Z  _O12     9     1.26315   114.85187   127.97821
   10     5 S   CT   _CB1    10     1.53067   107.55029   174.87577
   11    10 S   HC   HB11    11     1.09820   109.64132   -50.54230
   12    10 S   HC   HB12    12     1.09790   110.41040    65.86515
   13    10 S   CT   _CG1    13     1.52976   112.32075  -171.40422
   14    13 S   HC   HG11    14     1.09581   111.22979   -63.51227
   15    13 S   HC   HG12    15     1.09610   110.57205    55.60055
   16    13 S   C    _CD1    16     1.51325   110.62746   175.38667
   17    16 S   O    _OE1    17     1.22843   121.84466  -101.43108
   18    16 S   N    _N2_    18     1.38385   112.87616    77.96289
   19    18 S   H    _HN2    19     1.01558   119.36345     4.87665
   20    18 S   CT1  _CA2    20     1.45570   122.49444  -178.40063
   21    20 S   HC   _HA2    21     1.09446   108.43842    27.93260
   22    20 S   C    _C2_    22     1.52914   106.41230   -89.42811
   23    22 S   O    _O2_    23     1.23059   122.54834   -38.80156
   24    20 S   CT   _CB2    32     1.53428   112.77825   151.35628
   25    24 S   HC   HB21    33     1.09682   109.52177    69.62239
   26    24 S   HC   HB22    34     1.09532   110.71018  -173.86595
   27    22 S   N    _N3_    24     1.38511   113.18973   143.85287
   28    27 S   H    _HN3    25     1.01504   120.23740    -5.77679
   29    24 S   S    _SG2    35     1.83026   115.04847   -49.13102
   30    27 S   CT   _CA3    26     1.45453   121.91828   178.77763
   31    30 S   HC   HA31    27     1.09591   107.79993   -52.20216
   32    30 S   HC   HA32    28     1.09567   107.70577    63.74688
   33    29 S   CT   _C15    36     1.84511   101.07999   -68.21287
   34    33 S   HC   _H4_    37     1.08933   105.56914    42.38916
   35    30 S   CO3  _C3_    29     1.52728   113.88837  -175.38854
   36    35 S   O2Z  _O31    30     1.26325   114.96128   138.24755
   37    35 S   O2Z  _O32    31     1.26392   115.51528   -42.15839
   38    33 S   CA   _C16    38     1.53075   111.81613   -78.19063
   39    33 S   CM   _C14    67     1.51887   107.84120   158.02102
   40    39 S   HC   _H10    68     1.09094   115.61863    59.10651
   41    38 S   CA   _C17    39     1.41276   119.31763   -64.05731
   42    41 S   HA   _H11    40     1.08820   120.37971     0.55883
   43    39 S   CMA  _C13    69     1.35508   127.16619  -120.67690
   44    43 S   OM   _O40    70     1.26669   125.72946    -0.12820
   45    41 S   CA   _C18    41     1.39440   121.67014  -179.48680
   46    45 S   HA   _H12    42     1.08604   119.38061   179.89913
   47    43 S   OS   _O35    71     1.41990   109.18071  -179.10387
   48    45 S   CA   _C19    43     1.38848   119.51925    -0.08847
   49    47 S   CT   _C11    72     1.43733   117.44119  -160.38246
   50    49 S   HC   _H3_    73     1.09715   111.79591   -44.07158
   51    48 S   CA   _C20    44     1.39517   120.39748    -0.17694
   52    48 S   OH   _O39    65     1.36833   120.22914   179.96044
   53    52 S   HO   _H21    66     0.97202   108.77031    -0.40782
   54    49 S   CO3  _C12    74     1.53502   109.14154    79.90183
   55    54 S   O2Z  _O34    75     1.26472   116.61216    46.61098
   56    54 S   O2Z  _O33    76     1.26670   115.02388  -134.11314
   57    49 S   CT   _C10    77     1.53387   108.18266  -165.11920
   58    57 S   HC   _H8_    78     1.09842   110.83656   -44.57805
   59    57 S   HC   _H9_    79     1.09807   110.81062  -162.17238
   60    38 S   CA   _C21    45     1.41814   122.43118   116.04769
   61    51 S   OH   _O38    63     1.37286   116.97592  -179.68847
   62    61 S   HO   _H20    64     0.97056   109.91164  -177.99885
   63    57 S   CA   _C9_    80     1.51229   111.77182    76.46837
   64    60 S   CM   _C22    46     1.46945   120.99039    -1.73607
   65    64 S   HC   _H13    47     1.08446   114.96292   -94.15254
   66    63 S   CA   _C4_    81     1.40252   120.32289    91.80445
   67    66 S   HA   _H5_    82     1.08738   120.22066     0.65282
   68    64 S   CM   _C23    48     1.34180   122.14009    84.58477
   69    68 S   HC   _H14    49     1.08838   119.68802    -0.27268
   70    66 S   CA   _C5_    83     1.39643   120.57130  -179.16984
   71    70 S   HA   _H6_    84     1.08607   119.33750  -179.89532
   72    68 S   CA   _C24    50     1.47262   124.27553  -177.06322
   73    70 S   CA   _C6_    85     1.39364   119.69606     0.29608
   74    72 S   CA   _C25    51     1.40358   118.64696   156.10983
   75    74 S   HA   _H15    52     1.08847   120.50538    -0.72927
   76    73 S   CA   _C7_    86     1.39251   120.18824     0.13270
   77    73 S   OH   _O42    91     1.36736   120.44598   179.95154
   78    77 S   HO   _H23    92     0.97196   108.65757    -0.33455
   79    74 S   CA   _C26    53     1.39791   120.90005  -179.91844
   80    79 S   HA   _H16    54     1.08616   119.26850   179.50228
   81    63 S   CA   _C8_    87     1.40231   120.47021   -86.74394
   82    81 S   HA   _H7_    88     1.08719   119.66224    -0.62401
   83    76 S   OH   _O41    89     1.36763   119.34759   179.62051
   84    83 S   HO   _H22    90     0.97217   108.54104  -177.96789
   85    79 S   CA   _C27    55     1.39262   119.73790    -0.14265
   86    85 S   CA   _C28    56     1.39108   120.02130    -0.26834
   87    85 S   OH   _O37    61     1.36688   120.50173   179.63470
   88    87 S   HO   _H19    62     0.97196   108.64114    -1.04530
   89    72 S   CA   _C29    57     1.40242   122.78457   -25.00575
   90    89 S   HA   _H17    58     1.08599   120.50520    -0.97899
   91    86 S   OH   _O36    59     1.36808   119.49344   179.53648
   92    91 S   HO   _H18    60     0.97709   108.77689  -170.83509
  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
  13   6   2   1   1  14   7   3   8   4   6   2   7   3   9   7
  10   7   8   3   1   6   2   1   9   4   3   7   2   1   9   6
   3   8   4   8   3   7   3   9   7   8   4   6   3   1   7   3
   3   1   1   1   7   6   3   1   3   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    64    39    40    43    44    47  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    60    64    65    68    61    39    40    43  
   40    43    44    47    49    41    60  
   43    44    47  
   42    45    46    48    51    60    64    52  
   45    46    48    60  
   44    47    49    50    54    57  
   47    49  
   46    48    51    60    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    59    63  
   51    60    64    61    62    52    53  
   50    54    55    56    57    58    59    63    66    81  
   54    55    56    57    58    59    63  
   60    64    65    68    61    62    52    53  
   53    60    61  
    0  
   55    56    57    58    59    63  
   56    57  
   57  
   58    59    63    66    67    70    76    81    82  
   59    63    66    81  
   63    66    81  
   64    65    68    69    72    61    62  
   62    64  
    0  
   66    67    70    71    73    76    81    82    83  
   65    68    69    72    74    89  
   68    69    72  
   67    70    71    73    76    81    82    77  
   70    71    73    81  
   69    72    74    75    79    86    89    90  
   72    74    89  
   71    73    76    81    83    77    78  
   73    76    77  
   74    75    79    80    85    86    89    90    91  
   76    81    82    83    84    77    78  
   75    79    80    85    86    89    90    87  
   79    80    85    89  
   81    82    83    84    77    78  
   78    81    83  
    0  
   80    85    86    89    91    87    88  
   85    86    87  
   82    83    84  
   83  
   84  
    0  
   86    89    90    91    92    87    88  
   89    90    91    92    87    88  
   88    89    91  
    0  
   90    91    92  
   91  
   92  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    60   469.000  1.400
   51    61   450.000  1.364
   60    64   320.000  1.460
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    72   320.000  1.460
   72    74   469.000  1.400
   72    89   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    89   469.000  1.400
   86    91   450.000  1.364
   89    90   367.000  1.080
   91    92   553.000  0.945
   87    88   553.000  0.945
   61    62   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    66   469.000  1.400
   63    81   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    76   469.000  1.400
   73    77   450.000  1.364
   76    81   469.000  1.400
   76    83   450.000  1.364
   81    82   367.000  1.080
   83    84   553.000  0.945
   77    78   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    64    60.00000  120.93500
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    60    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    60    64    60.00000  120.93500
   51    61    62    35.00000  113.00000
   60    38    41    63.00000  120.00000
   60    64    65    40.00000  117.26300
   60    64    68    60.00000  123.20500
   64    68    69    35.00000  120.00000
   64    68    72    60.00000  123.20500
   68    64    65    35.00000  120.00000
   68    72    74    60.00000  120.93500
   68    72    89    60.00000  120.93500
   72    68    69    40.00000  117.26300
   72    74    75    35.00000  120.00000
   72    74    79    63.00000  120.00000
   72    89    86    63.00000  120.00000
   72    89    90    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    85    86    63.00000  120.00000
   79    85    87    70.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    89    63.00000  120.00000
   85    86    91    70.00000  120.00000
   85    87    88    35.00000  113.00000
   86    89    90    35.00000  120.00000
   86    91    92    35.00000  113.00000
   89    72    74    63.00000  120.00000
   91    86    89    70.00000  120.00000
   87    85    86    70.00000  120.00000
   61    51    60    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    63    70.00000  112.17500
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    63    66    70.00000  120.00000
   57    63    81    70.00000  120.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    81    76    63.00000  120.00000
   63    81    82    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    73    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   73    70    71    35.00000  120.00000
   73    76    81    63.00000  120.00000
   73    76    83    70.00000  120.00000
   73    77    78    35.00000  113.00000
   76    81    82    35.00000  120.00000
   76    83    84    35.00000  113.00000
   81    63    66    63.00000  120.00000
   83    76    81    70.00000  120.00000
   77    73    76    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    64   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    60    64    65   0.56550  1.0 3.0
   38    60    64    68   0.15800  1.0 1.0
   38    60    64    68   1.85350 -1.0 2.0
   38    60    64    68  -0.48700  1.0 3.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    64   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -60    38   3.62500 -1.0 2.0
   48    51    60    64   3.62500 -1.0 2.0
   48    51    61    62   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    60    64    65   0.56550  1.0 3.0
   51    60    64    68   0.15800  1.0 1.0
   51    60    64    68   1.85350 -1.0 2.0
   51    60    64    68  -0.48700  1.0 3.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51    61    62   0.84100 -1.0 2.0
   60    64    68    69   7.00000 -1.0 2.0
   60    64    68    72   7.00000 -1.0 2.0
   64    68    72    74   0.15800  1.0 1.0
   64    68    72    74   1.85350 -1.0 2.0
   64    68    72    74  -0.48700  1.0 3.0
   64    68    72    89   0.15800  1.0 1.0
   64    68    72    89   1.85350 -1.0 2.0
   64    68    72    89  -0.48700  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    72   7.00000 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    79   3.62500 -1.0 2.0
   68    72    89    86   3.62500 -1.0 2.0
   68    72    89    90   3.62500 -1.0 2.0
   69    68    72    74   0.56550  1.0 3.0
   69    68    72    89   0.56550  1.0 3.0
   72    74    79    80   3.62500 -1.0 2.0
   72    74    79    85   3.62500 -1.0 2.0
   74    72    89    86   3.62500 -1.0 2.0
   74    72    89    90   3.62500 -1.0 2.0
   74    79   -85    86   3.62500 -1.0 2.0
   74    79    85    87   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    85   3.62500 -1.0 2.0
   79    85    86    89   3.62500 -1.0 2.0
   79    85    86    91   3.62500 -1.0 2.0
   79    85    87    88   0.84100 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   85    86   -89    72   3.62500 -1.0 2.0
   85    86    89    90   3.62500 -1.0 2.0
   85    86    91    92   0.84100 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   89    72    74    75   3.62500 -1.0 2.0
   89    72   -74    79   3.62500 -1.0 2.0
   89    86    91    92   0.84100 -1.0 2.0
   91    86    89    72   3.62500 -1.0 2.0
   91    86    89    90   3.62500 -1.0 2.0
   87    85    86    89   3.62500 -1.0 2.0
   87    85    86    91   3.62500 -1.0 2.0
   61    51    60    38   3.62500 -1.0 2.0
   61    51    60    64   3.62500 -1.0 2.0
   52    48    51    60   3.62500 -1.0 2.0
   52    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    59   0.23400  1.0 3.0
   47    49    57    63  -0.64350  1.0 1.0
   47    49    57    63  -0.04200 -1.0 2.0
   47    49    57    63   0.19800  1.0 3.0
   49    57    63    66   0.04150 -1.0 2.0
   49    57    63    81   0.04150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    63   0.43200  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    59  -0.11250  1.0 3.0
   54    49    57    63  -2.95950  1.0 1.0
   54    49    57    63   0.02300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    63    66    67   3.62500 -1.0 2.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63    81    76   3.62500 -1.0 2.0
   57    63    81    82   3.62500 -1.0 2.0
   58    57    63    66   0.00000  1.0 1.0
   58    57    63    81   0.00000  1.0 1.0
   59    57    63    66   0.00000  1.0 1.0
   59    57    63    81   0.00000  1.0 1.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    73   3.62500 -1.0 2.0
   66    63    81    76   3.62500 -1.0 2.0
   66    63    81    82   3.62500 -1.0 2.0
   66    70   -73    76   3.62500 -1.0 2.0
   66    70    73    77   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    73   3.62500 -1.0 2.0
   70    73    76    81   3.62500 -1.0 2.0
   70    73    76    83   3.62500 -1.0 2.0
   70    73    77    78   0.84100 -1.0 2.0
   71    70    73    76   3.62500 -1.0 2.0
   71    70    73    77   3.62500 -1.0 2.0
   73    76   -81    63   3.62500 -1.0 2.0
   73    76    81    82   3.62500 -1.0 2.0
   73    76    83    84   0.84100 -1.0 2.0
   76    73    77    78   0.84100 -1.0 2.0
   81    63    66    67   3.62500 -1.0 2.0
   81    63   -66    70   3.62500 -1.0 2.0
   81    76    83    84   0.84100 -1.0 2.0
   83    76    81    63   3.62500 -1.0 2.0
   83    76    81    82   3.62500 -1.0 2.0
   77    73    76    81   3.62500 -1.0 2.0
   77    73    76    83   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   60    61    51    48   4.00000 -1.0 2.0
   51    64    60    38   4.00000 -1.0 2.0
   60    65    64    68  15.00000 -1.0 2.0
   72    69    68    64  15.00000 -1.0 2.0
   74    89    72    68   4.00000 -1.0 2.0
   79    75    74    72   1.10000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   86    87    85    79   4.00000 -1.0 2.0
   89    91    86    85   4.00000 -1.0 2.0
   86    90    89    72   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   66    81    63    57   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   73    71    70    66   1.10000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   81    83    76    73   4.00000 -1.0 2.0
   76    82    81    63   1.10000 -1.0 2.0
END
