* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    149    207     427
    1     0 S   NP   _N1_     1    28.58896    94.26462   -22.94148
    2     1 S   H    _HN1     2     1.02834    26.73092  -179.40127
    3     1 S   H    _H1_     3     1.02779    99.35225   -67.95722
    4     1 S   H    _H2_     4     1.02960    86.56199    40.05971
    5     1 S   CT   _CA1     5     1.50096   135.76674   156.07255
    6     5 S   HC   _HA1     6     1.09589   105.24386    70.60309
    7     5 S   CO3  _C1_     7     1.53814   112.44256   -49.54846
    8     7 S   O2Z  _O11     8     1.26350   115.00522   -43.45176
    9     7 S   O2Z  _O12     9     1.26247   114.94239   135.75176
   10     5 S   CT   _CB1    10     1.53127   107.42774  -171.52462
   11    10 S   HC   HB11    11     1.09811   109.33723   -51.24511
   12    10 S   HC   HB12    12     1.09809   110.50471    65.40759
   13    10 S   CT   _CG1    13     1.52882   112.43707  -172.35989
   14    13 S   HC   HG11    14     1.09519   110.27317   -63.60639
   15    13 S   HC   HG12    15     1.09585   109.83091    55.52152
   16    13 S   C    _CD1    16     1.51739   112.69249   175.54909
   17    16 S   O    _OE1    17     1.22700   123.28142    -8.25395
   18    16 S   N    _N2_    18     1.38584   111.43193   172.68268
   19    18 S   H    _HN2    19     1.01534   118.81635     0.24228
   20    18 S   CT1  _CA2    20     1.46137   123.64230   178.54022
   21    20 S   HC   _HA2    21     1.09734   109.26141   -10.49820
   22    20 S   C    _C2_    22     1.53622   108.61586  -126.02912
   23    22 S   O    _O2_    23     1.23058   122.13196  -150.34522
   24    20 S   CT   _CB2    32     1.53662   111.79106   111.73038
   25    24 S   HC   HB21    33     1.09431   109.25991    54.39281
   26    24 S   HC   HB22    34     1.09267   109.49191   173.11279
   27    22 S   N    _N3_    24     1.38442   113.72265    37.14437
   28    27 S   H    _HN3    25     1.01509   119.04196    -1.95905
   29    24 S   S    _SG2    35     1.82866   111.63584   -66.51023
   30    27 S   CT   _CA3    26     1.45427   123.34614   175.00605
   31    30 S   HC   HA31    27     1.09532   109.05602    27.91145
   32    30 S   HC   HA32    28     1.09475   107.23984   144.87477
   33    29 S   CT   _C6_    36     1.88513   102.32271  -172.15973
   34    30 S   CO3  _C3_    29     1.52925   113.22265   -95.48871
   35    34 S   O2Z  _O31    30     1.26403   115.48152   -43.86764
   36    34 S   O2Z  _O32    31     1.26377   114.95756   137.07498
   37    33 S   CT   _C7_    37     1.55084   103.53160  -179.70525
   38    37 S   HC   _H9_    38     1.09575   112.13314    64.45396
   39    37 S   HC   _H10    39     1.09591   111.32579  -175.26989
   40    37 S   HC   _H11    40     1.09602   112.29274   -55.95783
   41    33 S   CT   _C5_    41     1.56690   110.00534    63.34980
   42    41 S   HC   _H7_    42     1.09690   109.76184   -73.57270
   43    41 S   HC   _H8_    43     1.09813   108.94983   171.55899
   44    33 S   CT   _C8_    48     1.60027   111.01921   -59.27629
   45    44 S   OM   _O35    49     1.32854   109.37979  -176.85216
   46    44 S   HC   _H3_    50     1.09823   105.14290    56.52518
   47    41 S   CT   _C4_    44     1.52722   117.46151    50.56602
   48    47 S   HC   _H4_    45     1.09316   111.85517    57.81870
   49    47 S   HC   _H5_    46     1.09559   109.44854   176.53966
   50    47 S   HC   _H6_    47     1.09316   112.24629   -64.83754
   51    44 S   CT   _C9_    51     1.56354   113.46640   -58.34517
   52    51 S   HC   _H12    52     1.09494   110.06939    41.86969
   53    51 S   HC   _H13    53     1.10007   111.54444   -75.02454
   54    51 S   CT   _C10    54     1.54110   112.54142   161.67653
   55    54 S   HC   _H14    55     1.09707   110.46907    62.66136
   56    54 S   HC   _H15    56     1.09681   109.90886   -52.97595
   57    54 S   CM   _C11    57     1.51323   111.80585  -175.51913
   58    57 S   CM   _C12    58     1.34743   124.00915    87.51943
   59    58 S   HC   _H16    59     1.08905   118.44555   179.55238
   60    57 S   CT   _C20    80     1.50479   115.27713   -92.87145
   61    60 S   HC   _H28    81     1.09488   110.28303   -60.85712
   62    60 S   HC   _H29    82     1.09477   110.33058    59.05931
   63    60 S   HC   _H30    83     1.09511   112.31946   179.09475
   64    58 S   CT   _C13    60     1.50370   126.85634    -2.82008
   65    64 S   HC   _H17    61     1.09432   111.70454    -8.09735
   66    64 S   HC   _H18    62     1.09732   107.75220  -123.93238
   67    64 S   CT   _C14    63     1.53147   111.53527   115.77573
   68    67 S   HC   _H19    64     1.09772   110.54074   -55.17345
   69    67 S   HC   _H20    65     1.09849   109.43456    60.66724
   70    67 S   CM   _C15    66     1.51829   111.41427  -177.12642
   71    70 S   CM   _C16    67     1.34613   119.08272   -96.31186
   72    71 S   HC   _H21    68     1.08815   119.21523    -1.18018
   73    70 S   CT   _C19    76     1.50518   114.58905    84.84688
   74    73 S   HC   _H25    77     1.09368   110.57616   -67.59320
   75    73 S   HC   _H26    78     1.09099   113.83019   170.54932
   76    73 S   HC   _H27    79     1.09566   109.90630    51.54623
   77    71 S   CO4  _C17    69     1.48062   125.86783   176.42883
   78    77 S   O    _O33    70     1.21923   125.95055   -21.33405
   79    77 S   OS   _O34    71     1.36046   107.43419   160.21959
   80    79 S   CT   _C18    72     1.43058   115.09421   178.56960
   81    80 S   HC   _H22    73     1.09327   108.11161   179.76593
   82    80 S   HC   _H23    74     1.09426   110.32081    61.04146
   83    80 S   HC   _H24    75     1.09433   110.25452   -61.56013
  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  13   5   4   3
  18   2   1   1  11   4   3   2  10   6   5  10   5   4   3   2
   1   1   8   5   4  10   4   3  10  12   5   4   2   1   1   8
   5   4  10   4   3   9   9   4   4   2   1   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    49    50    44    45    46    51    52    53    54  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    51  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    49    50    44    45    46    51  
   43    47    48    49    50    44  
   47    48    49    50    44  
   45    46    51    52    53    54    55    56    57    47  
   46    51    52    53    54  
   51    52    53    54  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    60  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57    58    59    64    60    61    62    63  
   56    57    58    60  
   57    58    60  
   58    59    64    65    66    67    60    61    62    63  
   59    64    65    66    67    68    69    70    60    61    62    63  
   64    65    66    67    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    77    73    74    75    76  
   69    70    71    73  
   70    71    73  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    80    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   44    45   570.000  1.307
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   549.000  1.340
   70    73   317.000  1.510
   71    72   340.000  1.080
   71    77   320.000  1.462
   77    78   570.000  1.229
   77    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    58.35000  112.70000
   33    44    45    50.00000  109.50000
   33    44    46    37.50000  110.70000
   33    44    51    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    58.35000  112.70000
   46    44    45    45.00000  125.66300
   51    44    45    50.00000  109.50000
   51    44    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    70.00000  124.00000
   54    57    60    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  112.02700
   64    58    59    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    70.00000  124.00000
   67    70    73    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    77    65.00000  118.96000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    80.00000  123.72100
   71    77    79    90.00000  111.29400
   77    71    72    40.00000  117.72500
   77    79    80    83.00000  116.90000
   79    77    78    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    51   0.44750  1.0 1.0
   29    33    44    51  -0.17800 -1.0 2.0
   29    33    44    51   0.20200  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    50   0.15000  1.0 3.0
   33    44    51    52   0.15000  1.0 3.0
   33    44    51    53   0.15000  1.0 3.0
   33    44    51    54   0.56750  1.0 1.0
   33    44    51    54  -0.07550 -1.0 2.0
   33    44    51    54   0.20000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47   0.56750  1.0 1.0
   37    33    41    47  -0.07550 -1.0 2.0
   37    33    41    47   0.20000  1.0 3.0
   37    33    44    45   0.62750  1.0 1.0
   37    33    44    45  -0.30950 -1.0 2.0
   37    33    44    45   0.27300  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    51   0.56750  1.0 1.0
   37    33    44    51  -0.07550 -1.0 2.0
   37    33    44    51   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.62750  1.0 1.0
   41    33    44    45  -0.30950 -1.0 2.0
   41    33    44    45   0.27300  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    51   0.56750  1.0 1.0
   41    33    44    51  -0.07550 -1.0 2.0
   41    33    44    51   0.20000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    50   0.15000  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    50   0.15000  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47   0.56750  1.0 1.0
   44    33    41    47  -0.07550 -1.0 2.0
   44    33    41    47   0.20000  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51    54    56   0.15000  1.0 3.0
   44    51    54    57   0.34400  1.0 1.0
   44    51    54    57   0.09450 -1.0 2.0
   44    51    54    57   0.11100  1.0 3.0
   45    44    51    52   0.23400  1.0 3.0
   45    44    51    53   0.23400  1.0 3.0
   45    44    51    54   0.62750  1.0 1.0
   45    44    51    54  -0.30950 -1.0 2.0
   45    44    51    54   0.27300  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    54   0.15000  1.0 3.0
   51    54    57    58   0.09850  1.0 1.0
   51    54    57    58   0.15250 -1.0 2.0
   51    54    57    58  -0.50650  1.0 3.0
   51    54    57    60   0.46850  1.0 1.0
   51    54    57    60   0.08550 -1.0 2.0
   51    54    57    60   0.09800  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   7.00000 -1.0 2.0
   54    57    58    64   7.00000 -1.0 2.0
   54    57    60    61   0.34800  1.0 3.0
   54    57    60    62   0.34800  1.0 3.0
   54    57    60    63   0.34800  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    60   0.34800  1.0 3.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    60   0.34800  1.0 3.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    67   0.09850  1.0 1.0
   57    58    64    67   0.15250 -1.0 2.0
   57    58    64    67  -0.50650  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.15000  1.0 3.0
   58    64    67    70   0.31000  1.0 1.0
   58    64    67    70   0.14700 -1.0 2.0
   58    64    67    70   0.07550  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    70    71   0.09850  1.0 1.0
   64    67    70    71   0.15250 -1.0 2.0
   64    67    70    71  -0.50650  1.0 3.0
   64    67    70    73   0.46850  1.0 1.0
   64    67    70    73   0.08550 -1.0 2.0
   64    67    70    73   0.09800  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    71    72   7.00000 -1.0 2.0
   67    70    71    77   7.00000 -1.0 2.0
   67    70    73    74   0.34800  1.0 3.0
   67    70    73    75   0.34800  1.0 3.0
   67    70    73    76   0.34800  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    73   0.34800  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    73   0.34800  1.0 3.0
   70    71    77    78   1.00000 -1.0 2.0
   70    71    77    79  -0.56150  1.0 1.0
   70    71    77    79   2.19150 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   71    77    79    80   2.00000 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   1.63100 -1.0 2.0
   77    79    80    81   0.08050  1.0 3.0
   77    79    80    82   0.08050  1.0 3.0
   77    79    80    83   0.08050  1.0 3.0
   78    77    79    80   3.00000 -1.0 2.0
   73    70    71    72   7.00000 -1.0 2.0
   73    70    71    77   7.00000 -1.0 2.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    64   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   54    60    57    58  15.00000 -1.0 2.0
   64    59    58    57  15.00000 -1.0 2.0
   67    73    70    71  15.00000 -1.0 2.0
   77    72    71    70  15.00000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
END
