* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    141    205     406
    1     0 S   NP   _N1_     1    31.95436   100.98944   -21.71726
    2     1 S   H    _HN1     2     1.02773    10.75852   173.90957
    3     1 S   H    _H1_     3     1.02851   118.53068   166.08664
    4     1 S   H    _H2_     4     1.03453   104.50724   -74.91438
    5     1 S   CT   _CA1     5     1.50177   104.87291    41.98462
    6     5 S   HC   _HA1     6     1.09518   104.46758  -167.68708
    7     5 S   CO3  _C1_     7     1.54294   111.10546    75.67031
    8     7 S   O2Z  _O11     8     1.26096   116.40340  -101.29277
    9     7 S   O2Z  _O12     9     1.26521   114.15833    77.34652
   10     5 S   CT   _CB1    10     1.53425   107.11632   -51.00039
   11    10 S   HC   HB11    11     1.09769   110.14445   -43.06013
   12    10 S   HC   HB12    12     1.09745   109.49100    73.29041
   13    10 S   CT   _CG1    13     1.53126   113.05297  -165.63107
   14    13 S   HC   HG11    14     1.09678   109.47179  -154.40742
   15    13 S   HC   HG12    15     1.09287   112.00115   -36.19957
   16    13 S   C    _CD1    16     1.51502   111.08919    87.95943
   17    16 S   O    _OE1    17     1.22924   121.35392    84.84449
   18    16 S   N    _N2_    18     1.38298   113.64410   -93.06851
   19    18 S   H    _HN2    19     1.01581   119.35831    -0.61102
   20    18 S   CT1  _CA2    20     1.46276   123.06981   177.62908
   21    20 S   HC   _HA2    21     1.09737   109.21105    10.61359
   22    20 S   C    _C2_    22     1.53635   109.16161  -105.23295
   23    22 S   O    _O2_    23     1.23125   122.12681  -144.13639
   24    20 S   CT   _CB2    32     1.53318   111.75942   132.32576
   25    24 S   HC   HB21    33     1.09420   109.94483    61.62257
   26    24 S   HC   HB22    34     1.09560   110.21454   179.02381
   27    22 S   N    _N3_    24     1.38408   114.19579    43.31297
   28    27 S   H    _HN3    25     1.01520   119.80231    -1.64901
   29    24 S   S    _SG2    35     1.82861   112.07391   -62.13581
   30    27 S   CT   _CA3    26     1.45397   122.58392   176.43465
   31    30 S   HC   HA31    27     1.09561   107.24706   -68.62364
   32    30 S   HC   HA32    28     1.09571   108.14391    47.67110
   33    29 S   CT   _C19    36     1.84604    99.89211   132.21566
   34    33 S   HC   _H3_    37     1.09566   105.26524    45.49120
   35    30 S   CO3  _C3_    29     1.52800   114.63126   169.79280
   36    35 S   O2Z  _O31    30     1.26388   116.20893    -4.15911
   37    35 S   O2Z  _O32    31     1.26381   114.51576   176.41870
   38    33 S   CA   _C10    38     1.51899   111.26698   -73.70088
   39    33 S   CM   _C20    77     1.50620   108.67494   161.59485
   40    39 S   HC   _H22    78     1.09059   118.02720    39.44437
   41    38 S   CA   _C9_    39     1.40279   121.83861   -67.60597
   42    41 S   HA   _H10    40     1.08844   119.46563    -1.37970
   43    39 S   CMA  _C21    79     1.51644   122.61976  -142.46126
   44    43 S   OM   _O35    80     1.26225   119.35735   175.92105
   45    43 S   OM   _O36    81     1.26207   122.23599    -4.28277
   46    41 S   CA   _C8_    41     1.40308   121.30365   178.37021
   47    46 S   CA   _C13    42     1.40416   118.82899    -0.16432
   48    46 S   CT   _C7_    63     1.51270   119.36757   179.51141
   49    48 S   HC   _H8_    64     1.09815   109.30010    24.32060
   50    48 S   HC   _H9_    65     1.09362   109.36266   137.95475
   51    47 S   CA   _C12    43     1.40411   121.35931     0.81373
   52    47 S   OH   _O33    61     1.37060   117.45679  -179.38770
   53    52 S   HO   _H12    62     0.97195   108.95062   149.87223
   54    48 S   CM   _C6_    66     1.50360   112.34271   -95.48035
   55    54 S   HC   _H7_    67     1.09016   114.01178    64.43859
   56    38 S   CA   _C11    44     1.40348   119.70874   111.68235
   57    56 S   HA   _H11    45     1.08890   118.98011     2.01003
   58    51 S   CT   _C14    46     1.51175   123.09650   177.60216
   59    58 S   HC   _H13    47     1.09632   109.73473    48.38318
   60    58 S   HC   _H14    48     1.09566   110.04370   161.67070
   61    54 S   CM   _C5_    68     1.34702   128.16138  -116.24227
   62    58 S   CM   _C15    49     1.50372   112.82449   -73.25979
   63    62 S   HC   _H15    50     1.08968   114.12968    80.33781
   64    61 S   CT   _C4_    69     1.50599   120.31816  -179.71196
   65    64 S   HC   _H4_    70     1.09497   110.23599   120.30692
   66    64 S   HC   _H5_    71     1.09499   110.24065  -119.88527
   67    64 S   HC   _H6_    72     1.09511   112.45145     0.20748
   68    61 S   CT   _C22    73     1.50273   125.45771     0.69998
   69    68 S   HC   _H23    74     1.09524   109.99165   120.38792
   70    68 S   HC   _H24    75     1.09515   110.01314  -120.42060
   71    68 S   HC   _H25    76     1.09134   113.83996     0.05234
   72    62 S   CM   _C16    51     1.34779   127.96700  -101.04814
   73    72 S   CT   _C17    52     1.50432   124.84820     1.64996
   74    73 S   HC   _H16    53     1.09500   110.35793   120.79707
   75    73 S   HC   _H17    54     1.09503   110.02182  -119.71243
   76    73 S   HC   _H18    55     1.09177   113.59292     0.76617
   77    72 S   CT   _C18    56     1.50847   120.13539  -177.85963
   78    77 S   HC   _H19    57     1.09517   112.16699     2.08300
   79    77 S   HC   _H20    58     1.09527   110.03440   122.35699
   80    77 S   OH   _O34    59     1.42072   109.66815  -118.04232
   81    80 S   HO   _H21    60     0.97192   107.08678   180.00000
  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  12   6   3  11   4   2   1   1  12  13   9
   4   3  10   3   1  10   3   5   1   7   4   3   8  10   3   7
   3   2   1   3   2   1   1   9   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    51    56    57    39    40    43    44    45  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    51    56    57    58    48    39    40    43  
   40    43    44    45    41    56  
   43    44    45  
   42    46    47    51    56    57    52    48    49    50    54  
   46    47    56    48  
   44    45  
   45  
    0  
   47    51    56    58    52    53    48    49    50    54    55    61  
   51    56    57    58    59    60    62    52    53    48    49    50    54  
   49    50    54    55    61    64    68    51    52  
   50    54    55    61  
   54    55    61  
   56    57    58    59    60    62    63    72    52    53  
   53    56    58  
    0  
   55    61    64    65    66    67    68    69    70    71  
   61    64    68  
   57    58    59    60    62  
   58  
   59    60    62    63    72    73    77  
   60    62    63    72  
   62    63    72  
   64    65    66    67    68    69    70    71  
   63    72    73    74    75    76    77    78    79    80  
   72    73    77  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   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   3.0700   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   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    56   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    56   469.000  1.400
   51    58   317.000  1.510
   56    57   367.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.510
   62    63   340.000  1.080
   62    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   52    53   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    55   340.000  1.080
   54    61   549.000  1.340
   61    64   317.000  1.510
   61    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    56    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    46    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    46    47    63.00000  120.00000
   41    46    48    70.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    52    70.00000  120.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.99600
   47    51    56    63.00000  120.00000
   47    51    58    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    62    70.00000  112.99600
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    62    63    35.00000  117.00000
   58    62    72    70.00000  124.00000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    72    73    70.00000  124.00000
   62    72    77    70.00000  124.00000
   72    62    63    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    90.00000  110.39200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   52    47    51    70.00000  120.00000
   48    46    47    70.00000  120.00000
   48    54    55    35.00000  117.00000
   48    54    61    70.00000  124.00000
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    61    64    70.00000  124.00000
   54    61    68    70.00000  124.00000
   61    54    55    35.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   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    46   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   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    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    46   -47    51   3.62500 -1.0 2.0
   41    46    47    52   3.62500 -1.0 2.0
   41    46    48    49   0.00000  1.0 1.0
   41    46    48    50   0.00000  1.0 1.0
   41    46    48    54   0.18050 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    51    56   3.62500 -1.0 2.0
   46    47    51    58   3.62500 -1.0 2.0
   46    47    52    53   0.84100 -1.0 2.0
   46    48    54    55   0.00000  1.0 1.0
   46    48    54    61   1.44450  1.0 1.0
   46    48    54    61   0.06600 -1.0 2.0
   46    48    54    61   0.29250  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    54   0.18050 -1.0 2.0
   47    51   -56    38   3.62500 -1.0 2.0
   47    51    56    57   3.62500 -1.0 2.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   47    51    58    62   0.18050 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    72   1.44450  1.0 1.0
   51    58    62    72   0.06600 -1.0 2.0
   51    58    62    72   0.29250  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    46   3.62500 -1.0 2.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    60   0.00000  1.0 1.0
   56    51    58    62   0.18050 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   58    62    72    73   7.00000 -1.0 2.0
   58    62    72    77   7.00000 -1.0 2.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    72   0.00000  1.0 1.0
   60    58    62    63   0.33100  1.0 3.0
   60    58    62    72   0.00000  1.0 1.0
   62    72    73    74   0.00000  1.0 1.0
   62    72    73    75   0.00000  1.0 1.0
   62    72    73    76   0.00000  1.0 1.0
   62    72    77    78   0.00000  1.0 1.0
   62    72    77    79   0.00000  1.0 1.0
   62    72    77    80   0.67800  1.0 1.0
   62    72    77    80   0.47050 -1.0 2.0
   62    72    77    80  -0.62500  1.0 3.0
   63    62    72    73   7.00000 -1.0 2.0
   63    62    72    77   7.00000 -1.0 2.0
   72    77    80    81  -0.07800  1.0 1.0
   72    77    80    81  -0.21500 -1.0 2.0
   72    77    80    81  -0.03150  1.0 3.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.18000  1.0 1.0
   73    72    77    80   0.16450 -1.0 2.0
   73    72    77    80   0.04450  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   52    47    51    56   3.62500 -1.0 2.0
   52    47    51    58   3.62500 -1.0 2.0
   48    46    47    51   3.62500 -1.0 2.0
   48    46    47    52   3.62500 -1.0 2.0
   48    54    61    64   7.00000 -1.0 2.0
   48    54    61    68   7.00000 -1.0 2.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    61   0.00000  1.0 1.0
   50    48    54    55   0.33100  1.0 3.0
   50    48    54    61   0.00000  1.0 1.0
   54    61    64    65   0.00000  1.0 1.0
   54    61    64    66   0.00000  1.0 1.0
   54    61    64    67   0.00000  1.0 1.0
   54    61    68    69   0.00000  1.0 1.0
   54    61    68    70   0.00000  1.0 1.0
   54    61    68    71   0.00000  1.0 1.0
   55    54    61    64   7.00000 -1.0 2.0
   55    54    61    68   7.00000 -1.0 2.0
   64    61    68    69   0.34800  1.0 3.0
   64    61    68    70   0.34800  1.0 3.0
   64    61    68    71   0.34800  1.0 3.0
   68    61    64    65   0.34800  1.0 3.0
   68    61    64    66   0.34800  1.0 3.0
   68    61    64    67   0.34800  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   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
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   51    52    47    46   4.00000 -1.0 2.0
   56    58    51    47   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   58    63    62    72  15.00000 -1.0 2.0
   73    77    72    62  15.00000 -1.0 2.0
   48    55    54    61  15.00000 -1.0 2.0
   64    68    61    54  15.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
