* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    152    245     456
    1     0 S   NP   _N1_     1    28.50122   101.27906   -21.70408
    2     1 S   H    _HN1     2     1.02776   105.48906  -106.30963
    3     1 S   H    _H1_     3     1.02957    49.95708    -5.13649
    4     1 S   H    _H2_     4     1.02834    60.36060   151.61367
    5     1 S   CT   _CA1     5     1.50161   141.86679    65.35154
    6     5 S   HC   _HA1     6     1.09575   105.18037   127.22033
    7     5 S   CO3  _C1_     7     1.53771   112.32834     7.08419
    8     7 S   O2Z  _O11     8     1.26371   114.98361   -43.46471
    9     7 S   O2Z  _O12     9     1.26227   114.93350   135.46264
   10     5 S   CT   _CB1    10     1.53083   107.39858  -114.88924
   11    10 S   HC   HB11    11     1.09832   109.28296   -50.02667
   12    10 S   HC   HB12    12     1.09814   110.44379    66.50749
   13    10 S   CT   _CG1    13     1.53050   112.73691  -171.06787
   14    13 S   HC   HG11    14     1.09588   110.55069   -65.75198
   15    13 S   HC   HG12    15     1.09660   109.87170    53.48171
   16    13 S   C    _CD1    16     1.51863   112.19160   173.82613
   17    16 S   O    _OE1    17     1.22776   123.23647     3.75473
   18    16 S   N    _N2_    18     1.38541   111.84084  -176.21255
   19    18 S   H    _HN2    19     1.01595   119.16585     3.18199
   20    18 S   CT1  _CA2    20     1.45836   122.75635   177.81251
   21    20 S   HC   _HA2    21     1.09763   108.66894    27.66311
   22    20 S   C    _C2_    22     1.52863   107.21377   -89.14302
   23    22 S   O    _O2_    23     1.22955   123.04803   -32.18531
   24    20 S   CT   _CB2    32     1.53193   112.04328   150.82783
   25    24 S   HC   HB21    33     1.09435   110.12516    48.44509
   26    24 S   HC   HB22    34     1.09249   109.93642   166.63732
   27    22 S   N    _N3_    24     1.38573   112.42968   150.04316
   28    27 S   H    _HN3    25     1.01637   120.18261     0.34150
   29    24 S   S    _SG2    35     1.82998   109.87127   -73.20170
   30    27 S   CT   _CA3    26     1.45343   122.62941   179.58883
   31    30 S   HC   HA31    27     1.09552   107.35752   -67.68972
   32    30 S   HC   HA32    28     1.09567   108.07974    48.66877
   33    29 S   CT   _C18    36     1.84550   101.31435   173.15762
   34    30 S   CO3  _C3_    29     1.52942   114.39382   170.91539
   35    34 S   O2Z  _O31    30     1.26403   116.13773     2.87685
   36    34 S   O2Z  _O32    31     1.26433   114.41739  -177.29810
   37    33 S   CM   _C13    37     1.53751   116.64249   176.92216
   38    33 S   OS1  _O35    64     1.44270   112.05706    47.43595
   39    37 S   CO4  _C14    38     1.51080   110.20399  -179.92867
   40    39 S   O    _O33    39     1.22598   124.15817   137.32073
   41    37 S   CMA  _C12    46     1.36333   130.12651     1.06349
   42    41 S   OM   _O42    47     1.26208   132.12653     0.44191
   43    38 S   CO1  _C19    65     1.43734   116.66609    69.66990
   44    43 S   HC   _H3_    66     1.09615   110.47363    32.33291
   45    39 S   CM   _C15    40     1.48439   116.13278   -39.27287
   46    45 S   HC   _H14    41     1.08774   114.67564  -175.43563
   47    41 S   CM   _C11    48     1.46742   120.73442   178.70442
   48    47 S   HC   _H13    49     1.08892   115.16378   -93.91090
   49    43 S   CT   _C20    67     1.53553   107.40452   151.97410
   50    49 S   HC   _H4_    68     1.09682   110.01702    53.91806
   51    45 S   CMA  _C16    42     1.34472   125.45309     4.24999
   52    51 S   OM   _O41    43     1.26125   130.23779  -178.28172
   53    47 S   CM   _C10    50     1.34596   123.90942    88.22485
   54    53 S   HC   _H12    51     1.08783   119.41165     0.26020
   55    49 S   CT   _C21    69     1.53099   110.85302   175.65274
   56    55 S   HC   _H5_    70     1.09665   110.28079    71.92411
   57    49 S   OH5  _O40    85     1.42787   110.58784   -63.17228
   58    57 S   HO   _H20    86     0.97304   108.49561   -53.70424
   59    33 S   CO4  _C17    44     1.55097   108.24304   -69.23799
   60    59 S   O    _O34    45     1.23407   123.29291    -5.79082
   61    53 S   CA   _C9_    52     1.47058   124.65611   179.31187
   62    55 S   CT   _C22    71     1.53161   111.14270   -50.89124
   63    62 S   HC   _H6_    72     1.09641   108.47234   -72.05451
   64    55 S   OH5  _O39    83     1.43005   109.70013  -172.07908
   65    64 S   HO   _H19    84     0.97245   108.02191    59.47364
   66    61 S   CA   _C4_    53     1.40306   122.53539    33.13911
   67    66 S   HA   _H8_    54     1.08739   120.92314    -0.84116
   68    62 S   CT   _C23    73     1.53382   110.85879    49.65920
   69    68 S   HC   _H7_    74     1.09800   110.42281    66.37194
   70    62 S   OH5  _O38    81     1.42672   109.77565   171.45192
   71    70 S   HO   _H18    82     0.97237   108.14834   -57.98557
   72    66 S   CA   _C5_    55     1.39695   120.61541   178.50918
   73    72 S   HA   _H9_    56     1.08627   119.79744   179.80517
   74    43 S   OS1  _O36    75     1.42655   110.49869   -89.14696
   75    68 S   CT   _C24    76     1.53206   112.67995  -173.48844
   76    75 S   HC   _H15    77     1.09412   111.18022   -64.85797
   77    75 S   HC   _H16    78     1.09530   110.12870   174.04421
   78    72 S   CA   _C6_    57     1.39089   119.69648    -0.53008
   79    75 S   OH5  _O37    79     1.42306   110.17531    55.40018
   80    79 S   HO   _H17    80     0.97598   107.45273   171.01438
   81    78 S   CA   _C7_    58     1.39176   120.66628    -0.24228
   82    81 S   HA   _H10    59     1.08595   121.02570  -179.66312
   83    78 S   OH   _O43    62     1.36605   118.23492  -179.98022
   84    83 S   HO   _H21    63     0.97236   108.54162   179.94405
   85    61 S   CA   _C8_    60     1.40343   118.67999  -149.65259
   86    85 S   HA   _H11    61     1.08810   120.47875     1.78728
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   2   1   1  14  13   9   4   8   3  14   6   5   3   6   3
  12   7   3   2   8   3  13   7   4   1   1   1   9  12   7   3
   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1   1
   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    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    59    60    41    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    45    51    52    59    60    41    42    47    38    43    44    49    74  
   35    36  
   36  
    0  
   39    40    45    46    51    59    60    41    42    47    48    53    38    43  
   43    44    49    50    55    68    74    57    39    41    51    59    60  
   40    45    46    51    52    59    41    42    47  
   45    46    51    41  
   42    47    48    53    54    61    45    59  
   47    48    53  
   44    49    50    55    56    62    68    69    74    75    64    57    58    59  
   49    50    55    68    74    57  
   46    51    52    59    60  
   51    52    59  
   48    53    54    61    66    85  
   53    54    61  
   50    55    56    62    63    68    74    70    64    65    57    58  
   55    56    62    74    64    57    58  
   52    59    60  
   59    60  
   54    61    66    67    72    81    85    86  
   61    66    85  
   56    62    63    68    69    74    75    70    71    64    65    57    58  
   62    63    68    70    64    65    57  
   58    62    64    74  
    0  
   60  
    0  
   66    67    72    73    78    81    82    85    86  
   63    68    69    74    75    76    77    79    70    71    64    65  
   68    69    74    75    70    71    64  
   65    68    70  
    0  
   67    72    73    78    81    85    86    83  
   72    73    78    85  
   69    74    75    76    77    79    80    70    71  
   74    75    76    77    79    70  
   71    74    75  
    0  
   73    78    81    82    85    83    84  
   78    81    83  
   75    76    77    79  
   76    77    79    80  
   77    79    80  
   79    80  
   81    82    85    86    83    84  
   80  
    0  
   82    85    86    83    84  
   85    86    83  
   84    85  
    0  
   86  
    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  -0.316400   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   0.465900   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   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    59   317.000  1.522
   33    38   335.000  1.422
   37    39   320.000  1.462
   37    41   465.000  1.376
   39    40   570.000  1.229
   39    45   320.000  1.462
   45    46   340.000  1.080
   45    51   465.000  1.376
   51    52   745.000  1.250
   51    59   270.000  1.476
   59    60   570.000  1.229
   41    42   745.000  1.250
   41    47   465.000  1.376
   47    48   340.000  1.080
   47    53   549.000  1.340
   53    54   340.000  1.080
   53    61   320.000  1.460
   61    66   469.000  1.400
   61    85   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    81   469.000  1.400
   78    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   367.000  1.080
   83    84   553.000  0.945
   38    43   370.000  1.399
   43    44   360.000  1.097
   43    49   255.000  1.525
   43    74   370.000  1.399
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   355.000  1.421
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    64   355.000  1.421
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    74   335.000  1.422
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   355.000  1.421
   79    80   580.000  0.967
   70    71   580.000  0.967
   64    65   580.000  0.967
   57    58   580.000  0.967
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    59    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    65.00000  116.34900
   33    37    41    70.00000  124.00000
   33    59    51    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    38    43    90.00000  112.10700
   37    39    40    80.00000  123.72100
   37    39    45    65.00000  118.65900
   37    41    42    65.00000  137.10300
   37    41    47    70.00000  123.01800
   39    45    46    40.00000  117.72500
   39    45    51    60.00000  125.92000
   45    39    40    80.00000  123.72100
   45    51    52    65.00000  137.10300
   45    51    59    65.00000  114.61000
   51    45    46    40.00000  120.50800
   51    59    60    80.00000  120.81000
   59    33    37    70.00000  109.06800
   59    51    52    85.00000  116.28000
   41    37    39    60.00000  125.92000
   41    47    48    40.00000  120.50800
   41    47    53    70.00000  117.34000
   47    41    42    65.00000  137.10300
   47    53    54    35.00000  120.00000
   47    53    61    60.00000  123.20500
   53    47    48    35.00000  120.00000
   53    61    66    60.00000  120.93500
   53    61    85    60.00000  120.93500
   61    53    54    40.00000  117.26300
   61    66    67    35.00000  120.00000
   61    66    72    63.00000  120.00000
   61    85    81    63.00000  120.00000
   61    85    86    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    78    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    78    81    63.00000  120.00000
   72    78    83    70.00000  120.00000
   78    72    73    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    85    63.00000  120.00000
   78    83    84    35.00000  113.00000
   81    85    86    35.00000  120.00000
   85    61    66    63.00000  120.00000
   85    81    82    35.00000  120.00000
   83    78    81    70.00000  120.00000
   38    33    37    85.00000  110.90400
   38    33    59    90.00000  108.74100
   38    43    44    60.00000  105.75400
   38    43    49    90.00000  109.70700
   38    43    74   110.00000  113.16000
   43    49    50    45.00000  109.54000
   43    49    55    70.00000  111.10000
   43    49    57    90.00000  109.42000
   43    74    68    90.00000  112.10700
   49    43    44    45.00000  111.65000
   49    55    56    37.50000  110.70000
   49    55    62    58.35000  112.70000
   49    55    64    90.00000  111.45300
   49    57    58    65.00000  108.53500
   55    49    50    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    68    58.35000  112.70000
   55    62    70    90.00000  111.45300
   55    64    65    65.00000  108.53500
   62    55    56    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    74    95.00000  107.88500
   62    68    75    58.35000  112.70000
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    79    90.00000  111.45300
   74    43    44    60.00000  105.75400
   74    43    49    90.00000  109.70700
   74    68    69    55.00000  108.98800
   75    68    69    37.50000  110.70000
   75    68    74    95.00000  107.88500
   75    79    80    65.00000  108.53500
   77    75    76    33.00000  107.80000
   79    75    76    60.00000  109.39000
   79    75    77    60.00000  109.39000
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   64    55    56    60.00000  109.39000
   64    55    62    90.00000  111.45300
   57    49    50    60.00000  109.39000
   57    49    55    90.00000  111.45300
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    59    51   0.65300  1.0 1.0
   29    33    59    51  -0.03850 -1.0 2.0
   29    33    59    51   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    40  -0.64400  1.0 1.0
   33    37    39    40   0.26850 -1.0 2.0
   33    37    39    45   1.50000 -1.0 2.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    49   0.06250  1.0 1.0
   33    38    43    49  -0.01100 -1.0 2.0
   33    38    43    49   0.28050  1.0 3.0
   33    38    43    74  -0.12700  1.0 1.0
   33    38    43    74  -1.16200 -1.0 2.0
   33    38    43    74   0.58800  1.0 3.0
   37    33    59    51   0.65300  1.0 1.0
   37    33    59    51  -0.03850 -1.0 2.0
   37    33    59    51   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39    45    46   0.93700 -1.0 2.0
   37    39   -45    51  -1.18350  1.0 1.0
   37    39   -45    51   1.45950 -1.0 2.0
   37    41    47    48   7.00000 -1.0 2.0
   37    41    47    53   7.00000 -1.0 2.0
   39    37    41    42   7.00000 -1.0 2.0
   39    37    41    47   7.00000 -1.0 2.0
   39    45    51    52   7.00000 -1.0 2.0
   39    45    51    59   7.00000 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    51   1.00000 -1.0 2.0
   45    51   -59    33  -0.33500  1.0 1.0
   45    51   -59    33   1.06600 -1.0 2.0
   45    51   -59    33  -0.14000  1.0 3.0
   45    51    59    60   1.00000 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    59   7.00000 -1.0 2.0
   52    51    59    33   0.32450 -1.0 2.0
   52    51    59    33   0.17400  1.0 3.0
   52    51    59    60  -0.11900  1.0 1.0
   52    51    59    60   0.76850 -1.0 2.0
   52    51    59    60   0.14100  1.0 3.0
   59    33   -37    39   0.09700  1.0 1.0
   59    33   -37    39   0.15600 -1.0 2.0
   59    33   -37    39  -0.50800  1.0 3.0
   59    33    37    41  -0.51250  1.0 1.0
   59    33    37    41  -0.88800 -1.0 2.0
   59    33    37    41   0.08850  1.0 3.0
   59    33    38    43  -1.11000  1.0 1.0
   59    33    38    43   0.50250 -1.0 2.0
   59    33    38    43   0.47450  1.0 3.0
   41    37    39    40   1.00000 -1.0 2.0
   41    37    39    45  -1.18350  1.0 1.0
   41    37    39    45   1.45950 -1.0 2.0
   41    47    53    54   7.00000 -1.0 2.0
   41    47    53    61   7.00000 -1.0 2.0
   42    41    47    48   7.00000 -1.0 2.0
   42    41    47    53   7.00000 -1.0 2.0
   47    53    61    66   0.15800  1.0 1.0
   47    53    61    66   1.85350 -1.0 2.0
   47    53    61    66  -0.48700  1.0 3.0
   47    53    61    85   0.15800  1.0 1.0
   47    53    61    85   1.85350 -1.0 2.0
   47    53    61    85  -0.48700  1.0 3.0
   48    47    53    54   7.00000 -1.0 2.0
   48    47    53    61   7.00000 -1.0 2.0
   53    61    66    67   3.62500 -1.0 2.0
   53    61    66    72   3.62500 -1.0 2.0
   53    61    85    81   3.62500 -1.0 2.0
   53    61    85    86   3.62500 -1.0 2.0
   54    53    61    66   0.56550  1.0 3.0
   54    53    61    85   0.56550  1.0 3.0
   61    66    72    73   3.62500 -1.0 2.0
   61    66    72    78   3.62500 -1.0 2.0
   66    61    85    81   3.62500 -1.0 2.0
   66    61    85    86   3.62500 -1.0 2.0
   66    72   -78    81   3.62500 -1.0 2.0
   66    72    78    83   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    78   3.62500 -1.0 2.0
   72    78    81    82   3.62500 -1.0 2.0
   72    78    81    85   3.62500 -1.0 2.0
   72    78    83    84   0.84100 -1.0 2.0
   73    72    78    81   3.62500 -1.0 2.0
   73    72    78    83   3.62500 -1.0 2.0
   78    81   -85    61   3.62500 -1.0 2.0
   78    81    85    86   3.62500 -1.0 2.0
   81    78    83    84   0.84100 -1.0 2.0
   82    81    85    61   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    61    66    67   3.62500 -1.0 2.0
   85    61   -66    72   3.62500 -1.0 2.0
   83    78    81    82   3.62500 -1.0 2.0
   83    78    81    85   3.62500 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    41   0.39000  1.0 1.0
   38    33    37    41  -0.05800 -1.0 2.0
   38    33    37    41  -0.55150  1.0 3.0
   38    33    59    51   0.65300  1.0 1.0
   38    33    59    51  -0.03850 -1.0 2.0
   38    33    59    51   0.33900  1.0 3.0
   38    33    59    60   0.30150 -1.0 2.0
   38    43    49    50   0.23400  1.0 3.0
   38    43    49    55   0.62750  1.0 1.0
   38    43    49    55  -0.30950 -1.0 2.0
   38    43    49    55   0.27300  1.0 3.0
   38    43    49    57   1.51850  1.0 1.0
   38    43    74    68  -0.70400  1.0 1.0
   38    43    74    68  -0.90350 -1.0 2.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    62   0.56750  1.0 1.0
   43    49    55    62  -0.07550 -1.0 2.0
   43    49    55    62   0.20000  1.0 3.0
   43    49    55    64  -0.47750  1.0 1.0
   43    49    57    58   0.29150  1.0 1.0
   43    49    57    58  -0.28350 -1.0 2.0
   43    49    57    58   0.43600  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    74    68   0.37050  1.0 3.0
   49    43    74    68   0.06250  1.0 1.0
   49    43    74    68  -0.01100 -1.0 2.0
   49    43    74    68   0.28050  1.0 3.0
   49    55    62    63   0.15000  1.0 3.0
   49    55   -62    68   0.56750  1.0 1.0
   49    55   -62    68  -0.07550 -1.0 2.0
   49    55   -62    68   0.20000  1.0 3.0
   49    55    62    70  -0.47750  1.0 1.0
   49    55    64    65   0.29150  1.0 1.0
   49    55    64    65  -0.28350 -1.0 2.0
   49    55    64    65   0.43600  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    62   0.15000  1.0 3.0
   50    49    55    64   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    49    57    58   0.29150  1.0 1.0
   55    49    57    58  -0.28350 -1.0 2.0
   55    49    57    58   0.43600  1.0 3.0
   55    62    68    69   0.15000  1.0 3.0
   55    62    68    74   0.62750  1.0 1.0
   55    62    68    74  -0.30950 -1.0 2.0
   55    62    68    74   0.27300  1.0 3.0
   55    62    68    75   0.56750  1.0 1.0
   55    62    68    75  -0.07550 -1.0 2.0
   55    62    68    75   0.20000  1.0 3.0
   55    62    70    71   0.29150  1.0 1.0
   55    62    70    71  -0.28350 -1.0 2.0
   55    62    70    71   0.43600  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    68   0.15000  1.0 3.0
   56    55    62    70   0.23400  1.0 3.0
   56    55    64    65   0.19450  1.0 3.0
   62    55    64    65   0.29150  1.0 1.0
   62    55    64    65  -0.28350 -1.0 2.0
   62    55    64    65   0.43600  1.0 3.0
   62    68   -74    43   0.06250  1.0 1.0
   62    68   -74    43  -0.01100 -1.0 2.0
   62    68   -74    43   0.28050  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    79  -0.47750  1.0 1.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    74   0.23400  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    75    79    80   0.29150  1.0 1.0
   68    75    79    80  -0.28350 -1.0 2.0
   68    75    79    80   0.43600  1.0 3.0
   69    68    74    43   0.37050  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    79   0.23400  1.0 3.0
   74    43    49    50   0.23400  1.0 3.0
   74    43   -49    55   0.62750  1.0 1.0
   74    43   -49    55  -0.30950 -1.0 2.0
   74    43   -49    55   0.27300  1.0 3.0
   74    43    49    57   1.51850  1.0 1.0
   74    68    75    76   0.23400  1.0 3.0
   74    68    75    77   0.23400  1.0 3.0
   74    68    75    79   1.51850  1.0 1.0
   75    68    74    43   0.06250  1.0 1.0
   75    68    74    43  -0.01100 -1.0 2.0
   75    68    74    43   0.28050  1.0 3.0
   76    75    79    80   0.19450  1.0 3.0
   77    75    79    80   0.19450  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    74   1.51850  1.0 1.0
   70    62    68    75  -0.47750  1.0 1.0
   64    55    62    63   0.23400  1.0 3.0
   64    55    62    68  -0.47750  1.0 1.0
   64    55    62    70   3.77950  1.0 1.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    62  -0.47750  1.0 1.0
   57    49    55    64   3.77950  1.0 1.0
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    39    37    41   1.10000 -1.0 2.0
   37    45    39    40  10.50000 -1.0 2.0
   39    46    45    51   1.10000 -1.0 2.0
   59    52    51    45   1.10000 -1.0 2.0
   33    51    59    60  10.50000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   41    48    47    53  15.00000 -1.0 2.0
   61    54    53    47  15.00000 -1.0 2.0
   66    85    61    53   4.00000 -1.0 2.0
   72    67    66    61   1.10000 -1.0 2.0
   78    73    72    66   1.10000 -1.0 2.0
   81    83    78    72   4.00000 -1.0 2.0
   85    82    81    78   1.10000 -1.0 2.0
   81    86    85    61   1.10000 -1.0 2.0
END
