* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    261     479
    1     0 S   NP   _N1_     1    28.96365    97.34492   -19.68126
    2     1 S   H    _HN1     2     1.02973    86.82591    47.13461
    3     1 S   H    _H1_     3     1.02808    46.91503   164.03331
    4     1 S   H    _H2_     4     1.02753    75.38073   -62.81678
    5     1 S   CT   _CA1     5     1.50261   156.52488  -175.45796
    6     5 S   HC   _HA1     6     1.09599   105.03618    43.18308
    7     5 S   CO3  _C1_     7     1.53880   112.52830   -76.18451
    8     7 S   O2Z  _O11     8     1.26348   115.05801   -34.93279
    9     7 S   O2Z  _O12     9     1.26291   114.95212   143.56212
   10     5 S   CT   _CB1    10     1.53083   107.16666   160.58642
   11    10 S   HC   HB11    11     1.09805   108.95000   -52.46107
   12    10 S   HC   HB12    12     1.09754   110.35095    63.75929
   13    10 S   CT   _CG1    13     1.52897   112.94479  -173.86697
   14    13 S   HC   HG11    14     1.09505   110.15623   -66.68992
   15    13 S   HC   HG12    15     1.09663   110.11727    52.06133
   16    13 S   C    _CD1    16     1.51943   112.58494   171.63334
   17    16 S   O    _OE1    17     1.22744   123.21819   -18.26900
   18    16 S   N    _N2_    18     1.38543   111.65088   164.26263
   19    18 S   H    _HN2    19     1.01594   118.79289    -2.84290
   20    18 S   CT1  _CA2    20     1.46187   123.82360   176.68962
   21    20 S   HC   _HA2    21     1.09721   109.58086    -8.80906
   22    20 S   C    _C2_    22     1.53555   107.97883  -124.22572
   23    22 S   O    _O2_    23     1.23033   122.30484  -146.00655
   24    20 S   CT   _CB2    32     1.53309   111.13481   113.87181
   25    24 S   HC   HB21    33     1.09332   109.15261    49.86810
   26    24 S   HC   HB22    34     1.09491   110.83057   168.15766
   27    22 S   N    _N3_    24     1.38532   113.43768    41.45582
   28    27 S   H    _HN3    25     1.01522   118.86687    -0.90461
   29    24 S   S    _SG2    35     1.83049   111.62065   -73.35612
   30    27 S   CT   _CA3    26     1.45425   123.49406   175.27789
   31    30 S   HC   HA31    27     1.09522   109.27864    23.98803
   32    30 S   HC   HA32    28     1.09499   107.12505   140.96394
   33    29 S   CT   _C5_    36     1.88036   101.96687   141.99897
   34    30 S   CO3  _C3_    29     1.52896   113.02911   -99.53093
   35    34 S   O2Z  _O31    30     1.26409   115.36648   -46.82362
   36    34 S   O2Z  _O32    31     1.26351   115.02407   134.11537
   37    33 S   CM   _C11    37     1.52023   108.39190   -66.87800
   38    33 S   CT   _C6_    58     1.54956   106.90029    59.00423
   39    38 S   HC   _H10    59     1.10010   108.31106    51.32543
   40    38 S   HC   _H11    60     1.09780   111.21190   -62.47843
   41    33 S   CT   _C4_    84     1.54524   105.35876   174.66770
   42    41 S   HC   _H7_    85     1.09706   111.47259   -69.34508
   43    41 S   HC   _H8_    86     1.09623   111.21070   171.01478
   44    41 S   HC   _H9_    87     1.09581   113.08491    51.17193
   45    37 S   CMA  _C12    38     1.35634   127.72289   -60.04390
   46    45 S   OM   _O34    39     1.25514   137.45658    -0.89766
   47    45 S   CM   _C13    40     1.44874   108.89092   176.80592
   48    47 S   HC   _H12    41     1.08247   124.74934  -174.76385
   49    47 S   CM   _C14    42     1.34039   110.53685     1.70961
   50    37 S   CT   _C10    43     1.52913   122.94206   121.26937
   51    50 S   HC   _H6_    44     1.09607   110.70993   -60.78967
   52    49 S   CT   _C15    79     1.48786   125.65763  -174.56073
   53    52 S   HC   _H13    80     1.09536   111.08324     9.68131
   54    52 S   HC   _H14    81     1.09300   111.32682  -110.55564
   55    50 S   CT   _C9_    45     1.53801   110.10267    63.03821
   56    55 S   HC   _H5_    46     1.10137   109.72877    39.63923
   57    52 S   OH   _O33    82     1.42099   109.49318   128.88107
   58    57 S   HO   _H15    83     0.97216   106.89074  -179.88986
   59    55 S   CT   _C8_    47     1.52455   113.62916   -85.55970
   60    59 S   HC   _H4_    48     1.10102   109.85524   -51.31405
   61    59 S   CM   _C17    49     1.49893    97.90517  -161.01333
   62    59 S   CT   _C7_    56     1.53121   115.58258    71.96649
   63    62 S   HC   _H3_    57     1.09512   110.33169    62.41727
   64    61 S   CO4  _C16    50     1.48128   106.82989    32.50959
   65    64 S   O    _O36    51     1.21673   127.49751   164.51998
   66    61 S   CM   _C18    53     1.33541   132.33073  -144.66914
   67    66 S   HC   _H16    54     1.08279   121.93081    -1.35956
   68    66 S   HC   _H17    55     1.08574   121.39809   178.43777
   69    62 S   OS   _O37    61     1.45594   106.40463  -179.21466
   70    55 S   OS   _O35    52     1.44134   112.24068   157.83828
   71    69 S   CO4  _C19    62     1.36715   117.46163  -152.99494
   72    71 S   O    _O38    63     1.22291   125.68090     0.05234
   73    71 S   CT   _C20    64     1.51023   108.66227  -179.89721
   74    73 S   HC   _H18    65     1.09651   108.56913    59.29244
   75    73 S   HC   _H19    66     1.09659   108.61602   -57.45286
   76    73 S   CA   _C21    67     1.50719   113.11936  -179.03146
   77    76 S   CA   _C22    68     1.40231   120.42607   -89.50627
   78    77 S   HA   _H20    69     1.08724   120.38168    -0.91193
   79    77 S   CA   _C23    70     1.39542   120.44138   178.98451
   80    79 S   HA   _H21    71     1.08622   119.87258   179.86012
   81    79 S   CA   _C24    72     1.39165   119.62566    -0.30519
   82    81 S   CA   _C25    73     1.39270   120.77508    -0.10468
   83    82 S   HA   _H22    74     1.08598   120.99528  -179.73681
   84    81 S   OH   _O39    77     1.36630   118.17403  -179.96574
   85    84 S   HO   _H24    78     0.97237   108.55642   179.77272
   86    76 S   CA   _C26    75     1.40257   120.41353    88.76323
   87    86 S   HA   _H23    76     1.08733   120.32551     0.92514
  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  12   5   4   3
  19   2   1   1  20  16   6   5   6   2   1   1   8   4   9   3
  11  13   5   5   3   2  11   6   1   1  12   7   9   8   2   5
   2   3   1   1   6   1   7   4   9   4   3   9   8   4   7   3
   6   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    50    62    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    47    49    50    51    55    59    62    63    38    39    40    69    41    42    43    44  
   35    36  
   36  
    0  
   45    46    47    48    49    50    51    55    56    59    70    62    38    39    40    52    41    42    43    44  
   39    40    69    71    41    42    43    44    45    50    55    59    60    61    62    63  
   40    69    41    59    62    63  
   69    41    59    62    63  
   42    43    44    45    50    62  
   43    44  
   44  
    0  
   46    47    48    49    50    51    55    52  
   47    48    49    50  
   48    49    50    51    55    52    53    54    57  
   49    50    52  
   50    51    55    56    59    70    52    53    54    57    58  
   51    55    56    59    60    61    64    70    62    52    53    54    57  
   55    56    59    70    52  
   53    54    57    58    55  
   54    57    58  
   57    58  
   56    59    60    61    64    65    70    66    62    63    69  
   59    60    61    64    70    62  
   58  
    0  
   60    61    64    65    70    66    67    68    62    63    69    71  
   61    64    70    66    62    63    69  
   64    65    70    66    67    68    62    63    69  
   63    69    71    72    73    64    66    70  
   69    71  
   65    70    66    67    68  
   70    66  
   67    68    70  
   68  
    0  
   71    72    73    74    75    76  
    0  
   72    73    74    75    76    77    86  
   73    74    75    76  
   74    75    76    77    78    79    82    86    87  
   75    76    77    86  
   76    77    86  
   77    78    79    80    81    82    83    86    87  
   78    79    80    81    82    86    87    84  
   79    80    81    86  
   80    81    82    83    86    84    85  
   81    82    84  
   82    83    86    87    84    85  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   87  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    38   268.000  1.529
   33    41   268.000  1.529
   37    45   465.000  1.376
   37    50   317.000  1.510
   45    46   745.000  1.250
   45    47   465.000  1.376
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    70   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    70   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    38   268.000  1.529
   62    69   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   469.000  1.400
   76    86   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   320.000  1.410
   57    58   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    50    65.00000  117.92700
   33    38    62    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    65.00000  137.10300
   37    45    47    70.00000  123.01800
   37    50    49    70.00000  110.12100
   37    50    51    35.00000  109.50000
   37    50    55    70.00000  112.02700
   45    47    48    40.00000  120.50800
   45    47    49    70.00000  117.34000
   47    45    46    65.00000  137.10300
   47    49    50    70.00000  124.00000
   47    49    52    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    55    70.00000  112.02700
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    57    90.00000  110.39200
   50    37    45    70.00000  124.00000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    70    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    70.00000  112.02700
   55    59    62    58.35000  112.70000
   55    70    64    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    38    58.35000  112.70000
   59    62    69    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    70    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   70    55    56    35.00000  109.50000
   70    55    59    50.00000  109.50000
   70    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    38    39    37.50000  110.70000
   62    38    40    37.50000  110.70000
   62    69    71    83.00000  116.90000
   38    33    37    70.00000  112.02700
   38    62    63    37.50000  110.70000
   40    38    39    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    38    50.00000  109.50000
   69    71    72    83.00000  123.40000
   69    71    73    81.00000  111.40000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    70.00000  110.93000
   73    71    72    80.00000  120.40000
   73    76    77    70.00000  120.00000
   73    76    86    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    86    82    63.00000  120.00000
   76    86    87    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    76    77    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    81    82    70.00000  120.00000
   52    49    50    65.00000  117.92700
   52    57    58    55.00000  108.50000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   41    33    37    70.00000  112.02700
   41    33    38    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    50   0.30250  1.0 1.0
   29    33    37    50  -0.14950 -1.0 2.0
   29    33    37    50   0.36900  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    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    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    47   7.00000 -1.0 2.0
   33    37    50    49   0.09700  1.0 1.0
   33    37    50    49   0.15600 -1.0 2.0
   33    37    50    49  -0.50800  1.0 3.0
   33    37    50    51   0.34800  1.0 3.0
   33    37    50    55   0.46850  1.0 1.0
   33    37    50    55   0.08550 -1.0 2.0
   33    37    50    55   0.09800  1.0 3.0
   37    33    38    62   0.34400  1.0 1.0
   37    33    38    62   0.09450 -1.0 2.0
   37    33    38    62   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  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    44   0.15000  1.0 3.0
   37    45    47    48   7.00000 -1.0 2.0
   37    45   -47    49   7.00000 -1.0 2.0
   37    50    55    56   0.15000  1.0 3.0
   37    50    55    59   0.34400  1.0 1.0
   37    50    55    59   0.09450 -1.0 2.0
   37    50    55    59   0.11100  1.0 3.0
   37    50    55    70   0.61850  1.0 1.0
   37    50    55    70  -0.22750 -1.0 2.0
   37    50    55    70   0.15300  1.0 3.0
   45    37   -50    49  -0.28300  1.0 1.0
   45    37   -50    49   0.26700 -1.0 2.0
   45    37   -50    49  -0.63300  1.0 3.0
   45    37    50    51   0.00000  1.0 1.0
   45    37    50    55   0.09850  1.0 1.0
   45    37    50    55   0.15250 -1.0 2.0
   45    37    50    55  -0.50650  1.0 3.0
   45    47   -49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49   -50    37  -0.28300  1.0 1.0
   47    49   -50    37   0.26700 -1.0 2.0
   47    49   -50    37  -0.63300  1.0 3.0
   47    49    50    51   0.00000  1.0 1.0
   47    49    50    55   0.09850  1.0 1.0
   47    49    50    55   0.15250 -1.0 2.0
   47    49    50    55  -0.50650  1.0 3.0
   47    49    52    53   0.00000  1.0 1.0
   47    49    52    54   0.00000  1.0 1.0
   47    49    52    57   0.67800  1.0 1.0
   47    49    52    57   0.47050 -1.0 2.0
   47    49    52    57  -0.62500  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.34400  1.0 1.0
   49    50    55    59   0.09450 -1.0 2.0
   49    50    55    59   0.11100  1.0 3.0
   49    50    55    70   0.61850  1.0 1.0
   49    50    55    70  -0.22750 -1.0 2.0
   49    50    55    70   0.15300  1.0 3.0
   49    52    57    58  -0.07800  1.0 1.0
   49    52    57    58  -0.21500 -1.0 2.0
   49    52    57    58  -0.03150  1.0 3.0
   50    37    45    46   7.00000 -1.0 2.0
   50    37   -45    47   7.00000 -1.0 2.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    57   0.18000  1.0 1.0
   50    49    52    57   0.16450 -1.0 2.0
   50    49    52    57   0.04450  1.0 3.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.34400  1.0 1.0
   50    55    59    61   0.09450 -1.0 2.0
   50    55    59    61   0.11100  1.0 3.0
   50    55    59    62   0.56750  1.0 1.0
   50    55    59    62  -0.07550 -1.0 2.0
   50    55    59    62   0.20000  1.0 3.0
   50    55    70    64  -0.25900  1.0 1.0
   50    55    70    64  -0.47000 -1.0 2.0
   50    55    70    64   0.11750  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    70   0.23400  1.0 3.0
   55    59   -61    64   0.09700  1.0 1.0
   55    59   -61    64   0.15600 -1.0 2.0
   55    59   -61    64  -0.50800  1.0 3.0
   55    59    61    66   0.09850  1.0 1.0
   55    59    61    66   0.15250 -1.0 2.0
   55    59    61    66  -0.50650  1.0 3.0
   55    59    62    63   0.15000  1.0 3.0
   55    59    62    38   0.56750  1.0 1.0
   55    59    62    38  -0.07550 -1.0 2.0
   55    59    62    38   0.20000  1.0 3.0
   55    59    62    69   0.62750  1.0 1.0
   55    59    62    69  -0.30950 -1.0 2.0
   55    59    62    69   0.27300  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    55    70    64   0.08050  1.0 3.0
   59    55   -70    64  -0.25900  1.0 1.0
   59    55   -70    64  -0.47000 -1.0 2.0
   59    55   -70    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    70  -0.15000  1.0 1.0
   59    61   -64    70   0.89550 -1.0 2.0
   59    61   -64    70  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    38    33   0.56750  1.0 1.0
   59    62    38    33  -0.07550 -1.0 2.0
   59    62    38    33   0.20000  1.0 3.0
   59    62    38    39   0.15000  1.0 3.0
   59    62    38    40   0.15000  1.0 3.0
   59    62    69    71  -0.25900  1.0 1.0
   59    62    69    71  -0.47000 -1.0 2.0
   59    62    69    71   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    38   0.15000  1.0 3.0
   60    59    62    69   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    38   0.34400  1.0 1.0
   61    59    62    38   0.09450 -1.0 2.0
   61    59    62    38   0.11100  1.0 3.0
   61    59    62    69   0.61850  1.0 1.0
   61    59    62    69  -0.22750 -1.0 2.0
   61    59    62    69   0.15300  1.0 3.0
   61    64   -70    55   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    70    55   3.00000 -1.0 2.0
   70    55    59    60   0.23400  1.0 3.0
   70    55   -59    61   0.61850  1.0 1.0
   70    55   -59    61  -0.22750 -1.0 2.0
   70    55   -59    61   0.15300  1.0 3.0
   70    55    59    62   0.62750  1.0 1.0
   70    55    59    62  -0.30950 -1.0 2.0
   70    55    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    70  -0.56150  1.0 1.0
   66    61    64    70   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    71    72   3.00000 -1.0 2.0
   62    69    71    73   1.63150  1.0 1.0
   62    69    71    73   2.92000 -1.0 2.0
   63    62    38    33   0.15000  1.0 3.0
   63    62    38    39   0.15000  1.0 3.0
   63    62    38    40   0.15000  1.0 3.0
   63    62    69    71   0.08050  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    50   0.46850  1.0 1.0
   38    33    37    50   0.08550 -1.0 2.0
   38    33    37    50   0.09800  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    44   0.15000  1.0 3.0
   38    62    69    71  -0.25900  1.0 1.0
   38    62    69    71  -0.47000 -1.0 2.0
   38    62    69    71   0.11750  1.0 3.0
   69    62    38    33   0.62750  1.0 1.0
   69    62    38    33  -0.30950 -1.0 2.0
   69    62    38    33   0.27300  1.0 3.0
   69    62    38    39   0.23400  1.0 3.0
   69    62    38    40   0.23400  1.0 3.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.40000  1.0 3.0
   71    73    76    77   0.04300 -1.0 2.0
   71    73    76    86   0.04300 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.30150 -1.0 2.0
   73    76    77    78   3.62500 -1.0 2.0
   73    76    77    79   3.62500 -1.0 2.0
   73    76    86    82   3.62500 -1.0 2.0
   73    76    86    87   3.62500 -1.0 2.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    86   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    86   0.00000  1.0 1.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    81   3.62500 -1.0 2.0
   77    76    86    82   3.62500 -1.0 2.0
   77    76    86    87   3.62500 -1.0 2.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    79    81    84   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    86   3.62500 -1.0 2.0
   79    81    84    85   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -86    76   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   83    82    86    76   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    76    77    78   3.62500 -1.0 2.0
   86    76   -77    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   52    49    50    37   0.09700  1.0 1.0
   52    49    50    37   0.15600 -1.0 2.0
   52    49    50    37  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    55   0.46850  1.0 1.0
   52    49    50    55   0.08550 -1.0 2.0
   52    49    50    55   0.09800  1.0 3.0
   53    52    57    58   0.19450  1.0 3.0
   54    52    57    58   0.19450  1.0 3.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    37    50   0.46850  1.0 1.0
   41    33    37    50   0.08550 -1.0 2.0
   41    33    37    50   0.09800  1.0 3.0
   41    33    38    62   0.56750  1.0 1.0
   41    33    38    62  -0.07550 -1.0 2.0
   41    33    38    62   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
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
   33    50    37    45   1.10000 -1.0 2.0
   47    46    45    37   1.10000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    70    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   69    73    71    72  10.50000 -1.0 2.0
   77    86    76    73   4.00000 -1.0 2.0
   79    78    77    76   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    76   1.10000 -1.0 2.0
END
