* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    251     467
    1     0 S   NP   _N1_     1    28.58647    99.97639   -22.15615
    2     1 S   H    _HN1     2     1.02792   104.98900  -101.46349
    3     1 S   H    _H1_     3     1.02858    55.98923     0.64861
    4     1 S   H    _H2_     4     1.02951    54.76259   157.15021
    5     1 S   CT   _CA1     5     1.50547   142.93058    80.96769
    6     5 S   HC   _HA1     6     1.09709   104.54985   120.75173
    7     5 S   CO3  _C1_     7     1.54336   110.77684     5.10503
    8     7 S   O2Z  _O11     8     1.25995   116.70530  -115.54636
    9     7 S   O2Z  _O12     9     1.26600   113.72970    63.15920
   10     5 S   CT   _CB1    10     1.53160   106.92964  -123.49400
   11    10 S   HC   HB11    11     1.09835   109.60413   -44.67711
   12    10 S   HC   HB12    12     1.09765   110.45354    72.01098
   13    10 S   CT   _CG1    13     1.52954   112.32720  -165.29833
   14    13 S   HC   HG11    14     1.09443   110.72101   -64.61782
   15    13 S   HC   HG12    15     1.09639   109.65965    54.56625
   16    13 S   C    _CD1    16     1.51807   112.57938   174.71576
   17    16 S   O    _OE1    17     1.22727   123.35359     2.59963
   18    16 S   N    _N2_    18     1.38572   111.59026  -177.30296
   19    18 S   H    _HN2    19     1.01523   118.79565     4.16612
   20    18 S   CT1  _CA2    20     1.45829   123.03737   176.61690
   21    20 S   HC   _HA2    21     1.09735   108.95134    24.18986
   22    20 S   C    _C2_    22     1.52839   106.92022   -92.78928
   23    22 S   O    _O2_    23     1.22947   123.06585   -30.48190
   24    20 S   CT   _CB2    32     1.53211   111.98893   147.67977
   25    24 S   HC   HB21    33     1.09336   109.57619    48.55900
   26    24 S   HC   HB22    34     1.09249   110.26810   166.86923
   27    22 S   N    _N3_    24     1.38464   112.30867   152.14545
   28    27 S   H    _HN3    25     1.01630   119.87310    -0.65492
   29    24 S   S    _SG2    35     1.82693   110.21673   -72.70441
   30    27 S   CT   _CA3    26     1.45319   122.76245   179.21416
   31    30 S   HC   HA31    27     1.09565   107.35629   -64.18137
   32    30 S   HC   HA32    28     1.09556   108.03657    52.11754
   33    29 S   CT   _C18    36     1.85961   101.32890   175.96066
   34    30 S   CO3  _C3_    29     1.52950   114.34223   173.99025
   35    34 S   O2Z  _O31    30     1.26383   116.10525    -9.15330
   36    34 S   O2Z  _O32    31     1.26421   114.43853   170.85580
   37    33 S   CO4  _C17    37     1.52776   108.92578   176.29842
   38    37 S   O    _O35    38     1.22390   126.44607   -14.28332
   39    33 S   OS1  _O36    65     1.43889   112.93822    55.05291
   40    37 S   CO4  _C16    39     1.50298   116.15749   168.58261
   41    40 S   O    _O42    40     1.22215   119.07039   157.82847
   42    39 S   CO1  _C19    66     1.43472   117.81913    59.94593
   43    42 S   HC   _H4_    67     1.09609   110.95249    19.50966
   44    40 S   CM   _C15    41     1.47215   118.37162   -21.92394
   45    44 S   HC   _H15    42     1.08628   116.07275   176.22950
   46    42 S   CT   _C20    68     1.53446   107.26456   139.58148
   47    46 S   HC   _H5_    69     1.09683   109.98926    51.79679
   48    44 S   CMA  _C14    43     1.34633   122.81454    -4.43200
   49    48 S   OM   _O34    44     1.26332   128.70879   179.63309
   50    46 S   CT   _C21    70     1.53037   111.15442   173.74787
   51    50 S   HC   _H6_    71     1.09665   110.30623    72.86527
   52    46 S   OH5  _O41    86     1.42848   110.06098   -64.97499
   53    52 S   HO   _H21    87     0.97260   108.45086   -63.11304
   54    33 S   CT   _C13    45     1.56226   111.48564   -64.71459
   55    54 S   HC   _H3_    46     1.10085   106.22161    71.55417
   56    50 S   CT   _C22    72     1.53064   111.24666   -49.83933
   57    56 S   HC   _H7_    73     1.09711   108.98225   -71.50439
   58    50 S   OH5  _O40    84     1.42953   109.64073  -171.19273
   59    58 S   HO   _H20    85     0.97244   108.12375    60.10857
   60    54 S   CO4  _C12    47     1.54150   112.35621   -47.68903
   61    60 S   O    _O33    48     1.23027   122.33470   -59.80805
   62    56 S   CT   _C23    74     1.53258   110.86398    49.77498
   63    62 S   HC   _H8_    75     1.09807   111.10562    65.39543
   64    56 S   OH5  _O39    82     1.42618   109.63542   171.77596
   65    64 S   HO   _H19    83     0.97252   108.20117   -58.98525
   66    60 S   CM   _C11    49     1.49387   116.43268   119.49396
   67    66 S   HC   _H14    50     1.08295   117.00140    18.00464
   68    42 S   OS1  _O37    76     1.42850   109.71599  -101.65193
   69    62 S   CT   _C24    77     1.53018   111.07708  -173.73359
   70    69 S   HC   _H16    78     1.09521   110.83604    69.38823
   71    69 S   HC   _H17    79     1.09398   111.55596   -52.80969
   72    66 S   CM   _C10    51     1.34026   119.73723  -159.82019
   73    72 S   HC   _H13    52     1.08848   119.53322    -1.85920
   74    69 S   OH5  _O38    80     1.42489   109.42396  -171.90900
   75    74 S   HO   _H18    81     0.97676   106.23294  -176.93727
   76    72 S   CA   _C9_    53     1.47394   125.38506   177.61887
   77    76 S   CA   _C4_    54     1.40357   123.28886   -19.52159
   78    77 S   HA   _H9_    55     1.08681   121.34968     1.64402
   79    77 S   CA   _C5_    56     1.39770   120.72255  -177.36374
   80    79 S   HA   _H10    57     1.08641   119.76634   179.77100
   81    79 S   CA   _C6_    58     1.39028   119.76328     0.27411
   82    81 S   CA   _C7_    59     1.39039   120.59283    -0.16551
   83    82 S   HA   _H11    60     1.08626   121.07399   179.60485
   84    81 S   OH   _O43    63     1.36566   118.33593   179.45535
   85    84 S   HO   _H22    64     0.97271   108.47315  -179.46514
   86    76 S   CA   _C8_    61     1.40460   118.22552   163.59284
   87    86 S   HA   _H12    62     1.08853   120.61767    -1.91520
  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  10   5   4   3
  17   2   1   1  11   5  13   6   3  14   6   6   3  12   7   6
   3  13   7   4   1   6   3  12   7   3   1   6   3   9   6   3
   1   6   3   4   4   3   2   8   3   1   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    54    55    60    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    48    49    54    55    60    61    66    39    42    43    46    68  
   35    36  
   36  
    0  
   38    40    41    44    45    48    54    55    60    39    42  
   40    41    44    54    39  
   42    43    46    47    50    62    68    52    40    48    54    55    60  
   41    44    45    48    49    54  
   44    45    48  
   43    46    47    50    51    56    62    63    68    69    58    52    53    54  
   46    47    50    62    68    52  
   45    48    49    54    55    60  
   48    49    54  
   47    50    51    56    57    62    68    64    58    59    52    53  
   50    51    56    68    58    52    53  
   49    54    55    60    61    66  
   54    55    60  
   51    56    57    62    63    68    69    64    65    58    59    52    53  
   56    57    62    64    58    59    52  
   53    56    58    68  
    0  
   55    60    61    66    67    72  
   60    61    66  
   57    62    63    68    69    70    71    74    64    65    58    59  
   62    63    68    69    64    65    58  
   59    62    64  
    0  
   61    66    67    72    73    76  
   66    67    72  
   63    68    69    70    71    74    75    64    65  
   68    69    70    71    74    64  
   65    68    69  
    0  
   67    72    73    76    77    86  
   72    73    76  
   69    70    71    74  
   70    71    74    75  
   71    74    75  
   74    75  
   73    76    77    78    79    82    86    87  
   76    77    86  
   75  
    0  
   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  -0.316400   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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.000000   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  1.522
   33    54   268.000  1.529
   33    39   335.000  1.422
   37    38   570.000  1.229
   37    40   250.000  1.523
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   340.000  1.080
   44    48   465.000  1.376
   48    49   745.000  1.250
   48    54   270.000  1.512
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    72   549.000  1.340
   72    73   340.000  1.080
   72    76   320.000  1.460
   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
   39    42   370.000  1.399
   42    43   360.000  1.097
   42    46   255.000  1.525
   42    68   370.000  1.399
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   355.000  1.421
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    58   355.000  1.421
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   355.000  1.421
   62    63   340.000  1.090
   62    68   335.000  1.422
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   355.000  1.421
   74    75   580.000  0.967
   64    65   580.000  0.967
   58    59   580.000  0.967
   52    53   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  110.18000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.45000
   33    54    48    70.00000  112.02700
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    39    42    90.00000  112.10700
   37    40    41    80.00000  119.30300
   37    40    44    65.00000  116.00000
   40    37    38    80.00000  119.30300
   40    44    45    40.00000  117.72500
   40    44    48    60.00000  125.92000
   44    40    41    80.00000  123.72100
   44    48    49    65.00000  137.10300
   44    48    54    65.00000  122.18000
   48    44    45    40.00000  120.50800
   48    54    55    45.00000  110.52000
   48    54    60    70.00000  109.06800
   54    33    37    63.00000  111.10000
   54    48    49    85.00000  112.85300
   54    60    61    80.00000  120.40000
   54    60    66    65.00000  118.62400
   60    54    55    35.00000  109.50000
   60    66    67    40.00000  117.72500
   60    66    72    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    72    73    35.00000  120.00000
   66    72    76    60.00000  123.20500
   72    66    67    35.00000  120.00000
   72    76    77    60.00000  120.93500
   72    76    86    60.00000  120.93500
   76    72    73    40.00000  117.26300
   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
   39    33    37    90.00000  108.74100
   39    33    54    95.00000  107.88500
   39    42    43    60.00000  105.75400
   39    42    46    90.00000  109.70700
   39    42    68   110.00000  113.16000
   42    46    47    45.00000  109.54000
   42    46    50    70.00000  111.10000
   42    46    52    90.00000  109.42000
   42    68    62    90.00000  112.10700
   46    42    43    45.00000  111.65000
   46    50    51    37.50000  110.70000
   46    50    56    58.35000  112.70000
   46    50    58    90.00000  111.45300
   46    52    53    65.00000  108.53500
   50    46    47    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    62    58.35000  112.70000
   50    56    64    90.00000  111.45300
   50    58    59    65.00000  108.53500
   56    50    51    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    95.00000  107.88500
   56    62    69    58.35000  112.70000
   56    64    65    65.00000  108.53500
   62    56    57    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    74    90.00000  111.45300
   68    42    43    60.00000  105.75400
   68    42    46    90.00000  109.70700
   68    62    63    55.00000  108.98800
   69    62    63    37.50000  110.70000
   69    62    68    95.00000  107.88500
   69    74    75    65.00000  108.53500
   71    69    70    33.00000  107.80000
   74    69    70    60.00000  109.39000
   74    69    71    60.00000  109.39000
   64    56    57    60.00000  109.39000
   64    56    62    90.00000  111.45300
   58    50    51    60.00000  109.39000
   58    50    56    90.00000  111.45300
   52    46    47    60.00000  109.39000
   52    46    50    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.49600 -1.0 2.0
   33    37    40    44   0.43900  1.0 1.0
   33    37    40    44  -0.18150 -1.0 2.0
   33    37    40    44  -0.03650  1.0 3.0
   33    54    60    61   0.30150 -1.0 2.0
   33    54    60    66   0.65300  1.0 1.0
   33    54    60    66  -0.03850 -1.0 2.0
   33    54    60    66   0.33900  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    46   0.06250  1.0 1.0
   33    39    42    46  -0.01100 -1.0 2.0
   33    39    42    46   0.28050  1.0 3.0
   33    39    42    68  -0.12700  1.0 1.0
   33    39    42    68  -1.16200 -1.0 2.0
   33    39    42    68   0.58800  1.0 3.0
   37    33    54    48  -0.98800  1.0 1.0
   37    33    54    48   0.48800 -1.0 2.0
   37    33    54    48   0.76800  1.0 3.0
   37    33    54    55  -0.11250  1.0 3.0
   37    33    54    60   0.11950  1.0 1.0
   37    33    54    60   0.20300 -1.0 2.0
   37    33    54    60  -0.70800  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40    44    45   0.92800 -1.0 2.0
   37    40   -44    48   0.50400  1.0 1.0
   37    40   -44    48   1.60000 -1.0 2.0
   37    40   -44    48  -0.01800  1.0 3.0
   38    37    40    41   0.06100 -1.0 2.0
   38    37    40    44   0.03000  1.0 1.0
   38    37    40    44   0.58800 -1.0 2.0
   38    37    40    44   0.15550  1.0 3.0
   40    44    48    49   7.00000 -1.0 2.0
   40    44    48    54   7.00000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   1.00000 -1.0 2.0
   44    48   -54    33   0.09850  1.0 1.0
   44    48   -54    33   0.15250 -1.0 2.0
   44    48   -54    33  -0.50650  1.0 3.0
   44    48    54    55   0.00000  1.0 1.0
   44    48    54    60  -0.51250  1.0 1.0
   44    48    54    60  -0.88800 -1.0 2.0
   44    48    54    60   0.08850  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   48    54    60    61   0.30150 -1.0 2.0
   48    54    60    66   0.65300  1.0 1.0
   48    54    60    66  -0.03850 -1.0 2.0
   48    54    60    66   0.33900  1.0 3.0
   49    48    54    33   0.09700  1.0 1.0
   49    48    54    33   0.15600 -1.0 2.0
   49    48    54    33  -0.50800  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    60   0.09700  1.0 1.0
   49    48    54    60   0.15600 -1.0 2.0
   49    48    54    60  -0.50800  1.0 3.0
   54    33    37    38   0.30150 -1.0 2.0
   54    33   -37    40   0.65300  1.0 1.0
   54    33   -37    40  -0.03850 -1.0 2.0
   54    33   -37    40   0.33900  1.0 3.0
   54    33    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   54    60    66    67   0.04550  1.0 1.0
   54    60    66    67   0.83000 -1.0 2.0
   54    60    66    67  -0.04000  1.0 3.0
   54    60    66    72  -0.33500  1.0 1.0
   54    60    66    72   1.06600 -1.0 2.0
   54    60    66    72  -0.14000  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    66   0.00000  1.0 1.0
   60    66    72    73   7.00000 -1.0 2.0
   60    66    72    76   7.00000 -1.0 2.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    72   1.00000 -1.0 2.0
   66    72    76    77   0.15800  1.0 1.0
   66    72    76    77   1.85350 -1.0 2.0
   66    72    76    77  -0.48700  1.0 3.0
   66    72    76    86   0.15800  1.0 1.0
   66    72    76    86   1.85350 -1.0 2.0
   66    72    76    86  -0.48700  1.0 3.0
   67    66    72    73   7.00000 -1.0 2.0
   67    66    72    76   7.00000 -1.0 2.0
   72    76    77    78   3.62500 -1.0 2.0
   72    76    77    79   3.62500 -1.0 2.0
   72    76    86    82   3.62500 -1.0 2.0
   72    76    86    87   3.62500 -1.0 2.0
   73    72    76    77   0.56550  1.0 3.0
   73    72    76    86   0.56550  1.0 3.0
   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
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    54    48   0.61850  1.0 1.0
   39    33    54    48  -0.22750 -1.0 2.0
   39    33    54    48   0.15300  1.0 3.0
   39    33    54    55   0.23400  1.0 3.0
   39    33    54    60  -0.09450  1.0 1.0
   39    33    54    60  -1.12950 -1.0 2.0
   39    33    54    60   0.54000  1.0 3.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    50   0.62750  1.0 1.0
   39    42    46    50  -0.30950 -1.0 2.0
   39    42    46    50   0.27300  1.0 3.0
   39    42    46    52   1.51850  1.0 1.0
   39    42    68    62  -0.70400  1.0 1.0
   39    42    68    62  -0.90350 -1.0 2.0
   42    46    50    51   0.15000  1.0 3.0
   42    46    50    56   0.56750  1.0 1.0
   42    46    50    56  -0.07550 -1.0 2.0
   42    46    50    56   0.20000  1.0 3.0
   42    46    50    58  -0.47750  1.0 1.0
   42    46    52    53   0.29150  1.0 1.0
   42    46    52    53  -0.28350 -1.0 2.0
   42    46    52    53   0.43600  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    52   0.23400  1.0 3.0
   43    42    68    62   0.37050  1.0 3.0
   46    42    68    62   0.06250  1.0 1.0
   46    42    68    62  -0.01100 -1.0 2.0
   46    42    68    62   0.28050  1.0 3.0
   46    50    56    57   0.15000  1.0 3.0
   46    50   -56    62   0.56750  1.0 1.0
   46    50   -56    62  -0.07550 -1.0 2.0
   46    50   -56    62   0.20000  1.0 3.0
   46    50    56    64  -0.47750  1.0 1.0
   46    50    58    59   0.29150  1.0 1.0
   46    50    58    59  -0.28350 -1.0 2.0
   46    50    58    59   0.43600  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   47    46    50    58   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53   0.29150  1.0 1.0
   50    46    52    53  -0.28350 -1.0 2.0
   50    46    52    53   0.43600  1.0 3.0
   50    56    62    63   0.15000  1.0 3.0
   50    56    62    68   0.62750  1.0 1.0
   50    56    62    68  -0.30950 -1.0 2.0
   50    56    62    68   0.27300  1.0 3.0
   50    56    62    69   0.56750  1.0 1.0
   50    56    62    69  -0.07550 -1.0 2.0
   50    56    62    69   0.20000  1.0 3.0
   50    56    64    65   0.29150  1.0 1.0
   50    56    64    65  -0.28350 -1.0 2.0
   50    56    64    65   0.43600  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    62   0.15000  1.0 3.0
   51    50    56    64   0.23400  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   56    50    58    59   0.29150  1.0 1.0
   56    50    58    59  -0.28350 -1.0 2.0
   56    50    58    59   0.43600  1.0 3.0
   56    62   -68    42   0.06250  1.0 1.0
   56    62   -68    42  -0.01100 -1.0 2.0
   56    62   -68    42   0.28050  1.0 3.0
   56    62    69    70   0.15000  1.0 3.0
   56    62    69    71   0.15000  1.0 3.0
   56    62    69    74  -0.47750  1.0 1.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    68   0.23400  1.0 3.0
   57    56    62    69   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   62    56    64    65   0.29150  1.0 1.0
   62    56    64    65  -0.28350 -1.0 2.0
   62    56    64    65   0.43600  1.0 3.0
   62    69    74    75   0.29150  1.0 1.0
   62    69    74    75  -0.28350 -1.0 2.0
   62    69    74    75   0.43600  1.0 3.0
   63    62    68    42   0.37050  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    74   0.23400  1.0 3.0
   68    42    46    47   0.23400  1.0 3.0
   68    42   -46    50   0.62750  1.0 1.0
   68    42   -46    50  -0.30950 -1.0 2.0
   68    42   -46    50   0.27300  1.0 3.0
   68    42    46    52   1.51850  1.0 1.0
   68    62    69    70   0.23400  1.0 3.0
   68    62    69    71   0.23400  1.0 3.0
   68    62    69    74   1.51850  1.0 1.0
   69    62    68    42   0.06250  1.0 1.0
   69    62    68    42  -0.01100 -1.0 2.0
   69    62    68    42   0.28050  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  1.0 3.0
   64    56    62    63   0.23400  1.0 3.0
   64    56    62    68   1.51850  1.0 1.0
   64    56    62    69  -0.47750  1.0 1.0
   58    50    56    57   0.23400  1.0 3.0
   58    50    56    62  -0.47750  1.0 1.0
   58    50    56    64   3.77950  1.0 1.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    56  -0.47750  1.0 1.0
   52    46    50    58   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    40    37    38  10.50000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   40    45    44    48   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   54    66    60    61  10.50000 -1.0 2.0
   60    67    66    72  15.00000 -1.0 2.0
   76    73    72    66  15.00000 -1.0 2.0
   77    86    76    72   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
