* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    153    248     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    96.85071   -56.48574
    3     1 S   H    _H1_     3     1.02075    82.65294    51.54579
    4     1 S   H    _H2_     4     1.02100    34.78502  -169.60140
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.83067    97.86681  -178.14396
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.50788   109.64666    59.99562
   38    33 S   CO4  _C17    70     1.50514   108.24412   177.07444
   39    38 S   O    _O24    71     1.22932   121.04722   -27.12134
   40    37 S   CMA  _C11    38     1.35570   124.97061  -115.31717
   41    40 S   OM   _O22    39     1.26276   129.55378  -179.51503
   42    37 S   OS1  _O34    47     1.32447   114.35446    65.23780
   43    38 S   CM   _C16    72     1.48984   116.65047   151.59042
   44    43 S   HC   _H40    73     1.08375   117.21612    29.29724
   45    40 S   CM   _C12    40     1.47429   117.81621     0.86795
   46    42 S   CO1  _C22    48     1.42678   114.86019   119.48078
   47    46 S   HC   _H45    49     1.09709   107.44178    80.04066
   48    43 S   CM   _C15    74     1.34102   120.28860  -150.04414
   49    48 S   HC   _H39    75     1.08803   120.30738     0.82851
   50    45 S   CM   _C10    41     1.33764   123.64850    -3.21333
   51    50 S   HC   _H38    42     1.08488   121.70082  -179.27046
   52    45 S   OH   _O27    45     1.39321   118.73234   176.95149
   53    52 S   HO   _H49    46     0.95790   109.11975    -0.19281
   54    46 S   CT   _C20    50     1.52842   107.82688  -160.32329
   55    54 S   HC   _H43    51     1.09746   110.70399    51.34845
   56    48 S   CA   _C8_    76     1.47268   124.44116   179.53733
   57    33 S   CO4  _C14    43     1.52678   106.70104   -63.34845
   58    57 S   O    _O23    44     1.23208   122.25550   -65.72011
   59    54 S   CT   _C18    52     1.52871   111.33506   173.98288
   60    59 S   HC   _H41    53     1.09676   110.95651    74.75646
   61    54 S   OH5  _O30    68     1.42728   109.48388   -66.30235
   62    61 S   HO   _H52    69     0.96922   106.46429   -61.60189
   63    56 S   CA   _C4_    77     1.39502   120.00669   160.05020
   64    63 S   HA   _H34    78     1.08677   120.87396    -0.06256
   65    59 S   CT   _C19    54     1.52887   111.18809   -48.62592
   66    65 S   HC   _H42    55     1.09766   108.92626   -72.58419
   67    59 S   OH5  _O28    66     1.42925   109.16967  -168.27444
   68    67 S   HO   _H50    67     0.96876   106.36440    61.30231
   69    63 S   CA   _C6_    79     1.39480   119.96062  -179.97202
   70    69 S   HA   _H36    80     1.08746   119.63056   179.97202
   71    65 S   CT   _C21    56     1.53042   110.80264    49.54162
   72    71 S   HC   _H44    57     1.09896   110.43666    64.82580
   73    65 S   OH5  _O29    64     1.42511   108.04668   170.70851
   74    73 S   HO   _H51    65     0.97014   106.49567   -60.09443
   75    69 S   CA   _C9_    81     1.39422   120.05732    -0.03426
   76    46 S   OS1  _O25    58     1.42553   109.80518   -39.84804
   77    71 S   CT   _C24    59     1.52554   112.24097  -175.10583
   78    77 S   HC   _H46    60     1.09013   109.92903    60.06417
   79    77 S   HC   _H47    61     1.08929   109.98641   -60.90458
   80    75 S   CA   _C7_    82     1.39502   119.98203     0.01978
   81    80 S   HA   _H37    83     1.08736   120.32349   180.00000
   82    75 S   OH   _O26    86     1.36113   120.04631  -180.00000
   83    82 S   HO   _H48    87     0.97031   110.28299     0.00000
   84    77 S   OH5  _O33    62     1.41585   108.53608   179.55809
   85    84 S   HO   _H53    63     0.97220   107.10257  -179.96574
   86    56 S   CA   _C5_    84     1.39551   119.99737   -19.99495
   87    86 S   HA   _H35    85     1.08784   120.82473     0.07133
  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
  15   2   1   1  15  11   4   9   4  10   7   3   6  13   6   8
   3   5   3   2   1  12   7   9   1   1  13   7   4   1   8   4
  12   7   3   1   7   3   9   6   3   1   6   4   4   3   2   5
   3   2   1   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    50    57    58    42    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    50    51    57    58    42    46    38    39    43    44    48  
   35    36  
   36  
    0  
   40    41    45    50    57    58    52    42    46    47    54    76    38    39    43  
   39    43    44    48    49    56    40    42    50    57    58  
   43    44    48    57  
   41    45    50    51    57    52    53    42    46  
   45    50    52    42  
   46    47    54    55    59    71    76    61    45    57  
   44    48    49    56    63    86    57  
   48    49    56  
   50    51    57    58    52    53  
   47    54    55    59    60    65    71    72    76    77    67    61    62  
   54    55    59    71    76    61  
   49    56    63    64    69    80    86    87  
   56    63    86  
   51    57    58    52    53  
   57    58    52  
   53    57  
    0  
   55    59    60    65    66    71    76    73    67    68    61    62  
   59    60    65    76    67    61    62  
   63    64    69    70    75    80    81    86    87  
   58  
    0  
   60    65    66    71    72    76    77    73    74    67    68    61    62  
   65    66    71    73    67    68    61  
   62    65    67    76  
    0  
   64    69    70    75    80    86    87    82  
   69    70    75    86  
   66    71    72    76    77    78    79    84    73    74    67    68  
   71    72    76    77    73    74    67  
   68    71    73  
    0  
   70    75    80    81    86    82    83  
   75    80    82  
   72    76    77    78    79    84    85    73    74  
   76    77    78    79    84    73  
   74    76    77  
    0  
   80    81    86    87    82    83  
   77    78    79    84  
   78    79    84    85  
   79    84    85  
   84    85  
   81    86    87    82    83  
   86    87    82  
   83    86  
    0  
   85  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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    57   317.000  1.522
   33    38   317.000  1.522
   37    40   465.000  1.376
   37    42   440.000  1.360
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    50   549.000  1.340
   45    52   510.000  1.338
   50    51   340.000  1.080
   50    57   320.000  1.462
   57    58   570.000  1.229
   52    53   553.000  0.945
   42    46   370.000  1.399
   46    47   360.000  1.097
   46    54   255.000  1.525
   46    76   370.000  1.399
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   355.000  1.421
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   355.000  1.421
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    73   355.000  1.421
   71    72   340.000  1.090
   71    76   335.000  1.422
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   355.000  1.421
   84    85   580.000  0.967
   73    74   580.000  0.967
   67    68   580.000  0.967
   61    62   580.000  0.967
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    49   340.000  1.080
   48    56   320.000  1.460
   56    63   469.000  1.400
   56    86   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    80   469.000  1.400
   75    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   82    83   553.000  0.945
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    57    75.00000  110.18000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  124.00000
   33    37    42    85.00000  112.85300
   33    57    50    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  123.01800
   37    42    46    90.00000  111.18400
   40    45    50    70.00000  117.34000
   40    45    52    80.00000  121.38400
   45    40    41    65.00000  137.10300
   45    50    51    35.00000  120.00000
   45    50    57    65.00000  118.96000
   45    52    53    70.00000  107.45700
   50    57    58    80.00000  123.72100
   57    33    37    70.00000  109.06800
   57    50    51    40.00000  117.72500
   52    45    50    80.00000  121.38400
   42    37    40    80.00000  120.01400
   42    46    47    60.00000  105.75400
   42    46    54    90.00000  109.70700
   42    46    76   110.00000  113.16000
   46    54    55    45.00000  109.54000
   46    54    59    70.00000  111.10000
   46    54    61    90.00000  109.42000
   46    76    71    90.00000  112.10700
   54    46    47    45.00000  111.65000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    67    90.00000  111.45300
   54    61    62    65.00000  108.53500
   59    54    55    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    73    90.00000  111.45300
   59    67    68    65.00000  108.53500
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    76    95.00000  107.88500
   65    71    77    58.35000  112.70000
   65    73    74    65.00000  108.53500
   71    65    66    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    84    90.00000  111.45300
   76    46    47    60.00000  105.75400
   76    46    54    90.00000  109.70700
   76    71    72    55.00000  108.98800
   77    71    72    37.50000  110.70000
   77    71    76    95.00000  107.88500
   77    84    85    65.00000  108.53500
   79    77    78    33.00000  107.80000
   84    77    78    60.00000  109.39000
   84    77    79    60.00000  109.39000
   73    65    66    60.00000  109.39000
   73    65    71    90.00000  111.45300
   67    59    60    60.00000  109.39000
   67    59    65    90.00000  111.45300
   61    54    55    60.00000  109.39000
   61    54    59    90.00000  111.45300
   38    33    37    70.00000  109.06800
   38    33    57    75.00000  107.99600
   38    43    44    40.00000  117.72500
   38    43    48    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    48    49    35.00000  120.00000
   43    48    56    60.00000  123.20500
   48    43    44    35.00000  120.00000
   48    56    63    60.00000  120.93500
   48    56    86    60.00000  120.93500
   56    48    49    40.00000  117.26300
   56    63    64    35.00000  120.00000
   56    63    69    63.00000  120.00000
   56    86    80    63.00000  120.00000
   56    86    87    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    75    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    75    80    63.00000  120.00000
   69    75    82    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   75    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   86    56    63    63.00000  120.00000
   86    80    81    35.00000  120.00000
   82    75    80    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    57    50   0.65300  1.0 1.0
   29    33    57    50  -0.03850 -1.0 2.0
   29    33    57    50   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    42    46   2.00000 -1.0 2.0
   33    38    43    44   0.04550  1.0 1.0
   33    38    43    44   0.83000 -1.0 2.0
   33    38    43    44  -0.04000  1.0 3.0
   33    38    43    48  -0.33500  1.0 1.0
   33    38    43    48   1.06600 -1.0 2.0
   33    38    43    48  -0.14000  1.0 3.0
   37    33    57    50   0.65300  1.0 1.0
   37    33    57    50  -0.03850 -1.0 2.0
   37    33    57    50   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    43   0.65300  1.0 1.0
   37    33    38    43  -0.03850 -1.0 2.0
   37    33    38    43   0.33900  1.0 3.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    45    52   7.00000 -1.0 2.0
   37    42    46    47   0.08050  1.0 3.0
   37    42    46    54  -0.46850  1.0 1.0
   37    42    46    54   0.09300 -1.0 2.0
   37    42    46    54  -0.12850  1.0 3.0
   37    42    46    76  -0.48150  1.0 1.0
   37    42    46    76   0.09250 -1.0 2.0
   37    42    46    76  -0.12850  1.0 3.0
   40    37    42    46  -2.26850  1.0 1.0
   40    37    42    46   3.39050 -1.0 2.0
   40    45    50    51   7.00000 -1.0 2.0
   40    45    50    57   7.00000 -1.0 2.0
   40    45    52    53  -0.66100  1.0 1.0
   40    45    52    53   1.20850 -1.0 2.0
   40    45    52    53  -0.36000  1.0 3.0
   41    40    45    50   7.00000 -1.0 2.0
   41    40    45    52   7.00000 -1.0 2.0
   45    50   -57    33  -0.33500  1.0 1.0
   45    50   -57    33   1.06600 -1.0 2.0
   45    50   -57    33  -0.14000  1.0 3.0
   45    50    57    58   1.00000 -1.0 2.0
   50    45    52    53  -0.66100  1.0 1.0
   50    45    52    53   1.20850 -1.0 2.0
   50    45    52    53  -0.36000  1.0 3.0
   51    50    57    33   0.04550  1.0 1.0
   51    50    57    33   0.83000 -1.0 2.0
   51    50    57    33  -0.04000  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   57    33   -37    40  -0.51250  1.0 1.0
   57    33   -37    40  -0.88800 -1.0 2.0
   57    33   -37    40   0.08850  1.0 3.0
   57    33    37    42   0.09700  1.0 1.0
   57    33    37    42   0.15600 -1.0 2.0
   57    33    37    42  -0.50800  1.0 3.0
   57    33    38    39   0.30150 -1.0 2.0
   57    33    38    43   0.65300  1.0 1.0
   57    33    38    43  -0.03850 -1.0 2.0
   57    33    38    43   0.33900  1.0 3.0
   52    45    50    51   7.00000 -1.0 2.0
   52    45    50    57   7.00000 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    45   7.00000 -1.0 2.0
   42    46    54    55   0.23400  1.0 3.0
   42    46    54    59   0.62750  1.0 1.0
   42    46    54    59  -0.30950 -1.0 2.0
   42    46    54    59   0.27300  1.0 3.0
   42    46    54    61   1.51850  1.0 1.0
   42    46    76    71  -0.70400  1.0 1.0
   42    46    76    71  -0.90350 -1.0 2.0
   46    54    59    60   0.15000  1.0 3.0
   46    54    59    65   0.56750  1.0 1.0
   46    54    59    65  -0.07550 -1.0 2.0
   46    54    59    65   0.20000  1.0 3.0
   46    54    59    67  -0.47750  1.0 1.0
   46    54    61    62   0.29150  1.0 1.0
   46    54    61    62  -0.28350 -1.0 2.0
   46    54    61    62   0.43600  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    59   0.15000  1.0 3.0
   47    46    54    61   0.23400  1.0 3.0
   47    46    76    71   0.37050  1.0 3.0
   54    46    76    71   0.06250  1.0 1.0
   54    46    76    71  -0.01100 -1.0 2.0
   54    46    76    71   0.28050  1.0 3.0
   54    59    65    66   0.15000  1.0 3.0
   54    59   -65    71   0.56750  1.0 1.0
   54    59   -65    71  -0.07550 -1.0 2.0
   54    59   -65    71   0.20000  1.0 3.0
   54    59    65    73  -0.47750  1.0 1.0
   54    59    67    68   0.29150  1.0 1.0
   54    59    67    68  -0.28350 -1.0 2.0
   54    59    67    68   0.43600  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   55    54    59    67   0.23400  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   59    54    61    62   0.29150  1.0 1.0
   59    54    61    62  -0.28350 -1.0 2.0
   59    54    61    62   0.43600  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    76   0.62750  1.0 1.0
   59    65    71    76  -0.30950 -1.0 2.0
   59    65    71    76   0.27300  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   59    65    73    74   0.29150  1.0 1.0
   59    65    73    74  -0.28350 -1.0 2.0
   59    65    73    74   0.43600  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68   0.29150  1.0 1.0
   65    59    67    68  -0.28350 -1.0 2.0
   65    59    67    68   0.43600  1.0 3.0
   65    71   -76    46   0.06250  1.0 1.0
   65    71   -76    46  -0.01100 -1.0 2.0
   65    71   -76    46   0.28050  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    84  -0.47750  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    76   0.23400  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   71    65    73    74   0.29150  1.0 1.0
   71    65    73    74  -0.28350 -1.0 2.0
   71    65    73    74   0.43600  1.0 3.0
   71    77    84    85   0.29150  1.0 1.0
   71    77    84    85  -0.28350 -1.0 2.0
   71    77    84    85   0.43600  1.0 3.0
   72    71    76    46   0.37050  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    84   0.23400  1.0 3.0
   76    46    54    55   0.23400  1.0 3.0
   76    46   -54    59   0.62750  1.0 1.0
   76    46   -54    59  -0.30950 -1.0 2.0
   76    46   -54    59   0.27300  1.0 3.0
   76    46    54    61   1.51850  1.0 1.0
   76    71    77    78   0.23400  1.0 3.0
   76    71    77    79   0.23400  1.0 3.0
   76    71    77    84   1.51850  1.0 1.0
   77    71    76    46   0.06250  1.0 1.0
   77    71    76    46  -0.01100 -1.0 2.0
   77    71    76    46   0.28050  1.0 3.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    76   1.51850  1.0 1.0
   73    65    71    77  -0.47750  1.0 1.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    71  -0.47750  1.0 1.0
   67    59    65    73   3.77950  1.0 1.0
   61    54    59    60   0.23400  1.0 3.0
   61    54    59    65  -0.47750  1.0 1.0
   61    54    59    67   3.77950  1.0 1.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    57    50   0.65300  1.0 1.0
   38    33    57    50  -0.03850 -1.0 2.0
   38    33    57    50   0.33900  1.0 3.0
   38    33    57    58   0.30150 -1.0 2.0
   38    43    48    49   7.00000 -1.0 2.0
   38    43    48    56   7.00000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   1.00000 -1.0 2.0
   43    48    56    63   0.15800  1.0 1.0
   43    48    56    63   1.85350 -1.0 2.0
   43    48    56    63  -0.48700  1.0 3.0
   43    48    56    86   0.15800  1.0 1.0
   43    48    56    86   1.85350 -1.0 2.0
   43    48    56    86  -0.48700  1.0 3.0
   44    43    48    49   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    63    64   3.62500 -1.0 2.0
   48    56    63    69   3.62500 -1.0 2.0
   48    56    86    80   3.62500 -1.0 2.0
   48    56    86    87   3.62500 -1.0 2.0
   49    48    56    63   0.56550  1.0 3.0
   49    48    56    86   0.56550  1.0 3.0
   56    63    69    70   3.62500 -1.0 2.0
   56    63    69    75   3.62500 -1.0 2.0
   63    56    86    80   3.62500 -1.0 2.0
   63    56    86    87   3.62500 -1.0 2.0
   63    69   -75    80   3.62500 -1.0 2.0
   63    69    75    82   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    75   3.62500 -1.0 2.0
   69    75    80    81   3.62500 -1.0 2.0
   69    75    80    86   3.62500 -1.0 2.0
   69    75    82    83   0.84100 -1.0 2.0
   70    69    75    80   3.62500 -1.0 2.0
   70    69    75    82   3.62500 -1.0 2.0
   75    80   -86    56   3.62500 -1.0 2.0
   75    80    86    87   3.62500 -1.0 2.0
   80    75    82    83   0.84100 -1.0 2.0
   81    80    86    56   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    56    63    64   3.62500 -1.0 2.0
   86    56   -63    69   3.62500 -1.0 2.0
   82    75    80    81   3.62500 -1.0 2.0
   82    75    80    86   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    52    45    50   1.10000 -1.0 2.0
   57    51    50    45   1.10000 -1.0 2.0
   33    50    57    58  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   38    44    43    48  15.00000 -1.0 2.0
   56    49    48    43  15.00000 -1.0 2.0
   63    86    56    48   4.00000 -1.0 2.0
   69    64    63    56   1.10000 -1.0 2.0
   75    70    69    63   1.10000 -1.0 2.0
   80    82    75    69   4.00000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   80    87    86    56   1.10000 -1.0 2.0
END
