* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    248     447
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02090    71.03459    66.92022
    3     1 S   H    _H1_     3     1.02095    42.37378  -141.59932
    4     1 S   H    _H2_     4     1.02046   103.48108   -38.55990
    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     1.08641   109.88695   179.08657
   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   _C25    36     1.82642    98.00876   161.85212
   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   CO4  _C17    37     1.51525   107.17606   -80.01881
   38    37 S   O    _O24    38     1.22764   123.25576    89.98143
   39    33 S   CM   _C18    51     1.51838   110.69781   156.88928
   40    33 S   OH   _O25    79     1.42412   110.86947    34.08986
   41    40 S   HO   _H46    80     0.96902   106.60249   -55.41941
   42    37 S   CA   _C13    39     1.47137   116.53834   -87.77850
   43    39 S   CT   _C24    52     1.49721   113.86646   -83.84039
   44    43 S   HC   _H45    53     1.08184   107.25482     0.81685
   45    42 S   CA   _C7_    40     1.40245   118.73695   156.82376
   46    45 S   HA   _H31    41     1.08710   121.23931     0.88404
   47    43 S   CT   _C21    54     1.53019   109.22566   119.18412
   48    47 S   HC   _H40    55     1.10093   110.27664    55.03249
   49    47 S   HC   _H41    56     1.09918   110.44249   -62.07913
   50    45 S   CA   _C5_    42     1.38972   119.93764  -178.10359
   51    50 S   HA   _H29    43     1.08539   120.21300   179.67254
   52    47 S   CT   _C19    57     1.52762   111.51926   176.44218
   53    52 S   HC   _H36    58     1.09850   109.25262    66.97692
   54    52 S   HC   _H37    59     1.09704   109.37891  -176.91434
   55    50 S   CA   _C4_    44     1.38818   119.59429     0.01978
   56    55 S   HA   _H28    45     1.08707   120.05361   179.82983
   57    52 S   CT   _C23    60     1.53829   111.46509   -54.95779
   58    57 S   HC   _H44    61     1.11847   107.94127   -63.20621
   59    55 S   CA   _C6_    46     1.39940   120.15331    -0.46267
   60    59 S   HA   _H30    47     1.08850   116.95968  -179.78239
   61    57 S   CA   _C14    62     1.51844   111.78412  -179.44893
   62    57 S   CT   _C20    73     1.53863   110.95813    54.91063
   63    62 S   HC   _H38    74     1.09792   110.05322  -176.41526
   64    62 S   HC   _H39    75     1.09771   110.15849    66.42172
   65    42 S   CA   _C12    48     1.40181   119.15593   -22.11204
   66    61 S   CA   _C8_    63     1.39474   120.00250   -90.07316
   67    66 S   HA   _H32    64     1.08730   120.48217     0.09065
   68    43 S   CT   _C22    76     1.52849   109.87457  -118.16990
   69    68 S   HC   _H42    77     1.10017   110.41756    62.43326
   70    68 S   HC   _H43    78     1.10195   110.36376   -54.67177
   71    65 S   CMA  _C16    49     1.51847   122.69621    -4.38289
   72    71 S   OM   _O23    50     1.26974   118.94651  -163.32169
   73    66 S   CA   _C10    65     1.39499   119.97417  -179.92338
   74    73 S   HA   _H34    66     1.08725   119.16318  -179.95577
   75    73 S   CA   _C15    67     1.39471   120.05079     0.00000
   76    75 S   Cl   CL27    68     1.72007   120.02601  -180.00000
   77    75 S   CA   _C11    69     1.39500   119.94022     0.00000
   78    77 S   HA   _H35    70     1.08735   120.81530  -179.94766
   79    61 S   CA   _C9_    71     1.39480   119.96675    90.02243
   80    79 S   HA   _H33    72     1.08580   120.48061    -0.11364
  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
  14   2   1   1  12   5  17   4   1  10  17   9   8   4  13   6
   5   6   3  11   5   4   5   3  14   7   4   2  13   7   4   3
   2   8   4   3   1   1   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    71    39    43    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    65    71    72    39    43    44    47    68    40    41  
   35    36  
   36  
    0  
   38    42    45    46    50    59    65    71    39    43    40    41  
   42    45    65    39    40  
   43    44    47    48    49    52    62    68    69    70    40    41    42    59    65    71    72  
   41    42    43    71  
    0  
   45    46    50    51    55    59    60    65    71    72  
   44    47    48    49    52    53    54    57    62    63    64    68    69    70    65    71    72  
   47    48    49    52    62    68    69    70    71  
   46    50    51    55    56    59    65    71  
   50    51    55    65  
   48    49    52    53    54    57    58    61    62    68    69    70    71  
   49    52    53    54    57    68  
   52    53    54    57    68  
   51    55    56    59    60    65  
   55    56    59  
   53    54    57    58    61    66    79    62    63    64    68  
   54    57    58    61    62  
   57    58    61    62  
   56    59    60    65    71  
   59    60    65  
   58    61    66    67    73    77    79    80    62    63    64    68    69    70  
   61    66    79    62    63    64    68  
   60    65    71    72  
   65    71  
   66    67    73    74    75    77    78    79    80    62    63    64    68  
   63    64    68    69    70    66    79  
   64    68    69    70  
   68    69    70  
   71    72  
   67    73    74    75    76    77    79    80  
   73    74    75    79  
   69    70    71  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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   0.432500   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   72   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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
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    39   317.000  1.510
   33    40   320.000  1.410
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    45   469.000  1.400
   42    65   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    71   320.000  1.460
   71    72   745.000  1.250
   71    39   465.000  1.376
   39    43   317.000  1.510
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    61   317.000  1.510
   57    62   268.000  1.529
   61    66   469.000  1.400
   61    79   469.000  1.400
   66    67   367.000  1.080
   66    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   40    41   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    39    71    70.00000  124.00000
   33    39    43    65.00000  117.92700
   33    40    41    55.00000  108.50000
   37    42    45    60.00000  119.52600
   37    42    65    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    65    59    63.00000  120.00000
   42    65    71    60.00000  120.93500
   45    50    51    35.00000  120.00000
   45    50    55    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    59    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    65    71    60.00000  120.93500
   65    42    45    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    71    72    85.00000  114.86500
   65    71    39    60.00000  123.20500
   71    39    43    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    71    72    65.00000  137.10300
   39    43    44    35.00000  109.50000
   39    43    47    70.00000  112.02700
   39    43    68    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   43    68    62    58.35000  112.70000
   43    68    69    37.50000  110.70000
   43    68    70    37.50000  110.70000
   47    43    44    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    61    70.00000  112.17500
   52    57    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    66    70.00000  120.00000
   57    61    79    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    58.35000  112.70000
   61    57    58    35.00000  109.50000
   61    66    67    35.00000  120.00000
   61    66    73    63.00000  120.00000
   61    79    77    63.00000  120.00000
   61    79    80    35.00000  120.00000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   73    66    67    35.00000  120.00000
   73    75    76    75.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    61    66    63.00000  120.00000
   79    77    78    35.00000  120.00000
   62    57    58    37.50000  110.70000
   62    57    61    70.00000  112.17500
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   68    43    44    37.50000  110.70000
   68    43    47    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   70    68    69    33.00000  107.80000
   40    33    37    90.00000  109.61100
   40    33    39    90.00000  110.39200
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    71   0.42700  1.0 1.0
   29    33    39    71  -0.70350 -1.0 2.0
   29    33    39    71  -0.43150  1.0 3.0
   29    33    39    43   0.30250  1.0 1.0
   29    33    39    43  -0.14950 -1.0 2.0
   29    33    39    43   0.36900  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    45   2.26350  1.0 1.0
   33    37    42    45   0.76750 -1.0 2.0
   33    37    42    45   0.22500  1.0 3.0
   33    37    42    65   2.26350  1.0 1.0
   33    37    42    65   0.76750 -1.0 2.0
   33    37    42    65   0.22500  1.0 3.0
   33    39    43    44   0.34800  1.0 3.0
   33    39    43    47   0.46850  1.0 1.0
   33    39    43    47   0.08550 -1.0 2.0
   33    39    43    47   0.09800  1.0 3.0
   33    39    43    68   0.46850  1.0 1.0
   33    39    43    68   0.08550 -1.0 2.0
   33    39    43    68   0.09800  1.0 3.0
   37    33    39    71  -0.51250  1.0 1.0
   37    33    39    71  -0.88800 -1.0 2.0
   37    33    39    71   0.08850  1.0 3.0
   37    33    39    43   0.17250  1.0 1.0
   37    33    39    43  -0.04100 -1.0 2.0
   37    33    39    43  -0.33850  1.0 3.0
   37    33    40    41   0.91850  1.0 1.0
   37    33    40    41   0.57950  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    50   3.62500 -1.0 2.0
   37    42    65    59   3.62500 -1.0 2.0
   37    42   -65    71   3.62500 -1.0 2.0
   38    37    42    45   1.05000 -1.0 2.0
   38    37    42    65   1.05000 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    55   3.62500 -1.0 2.0
   42    65    71    72  -0.01750  1.0 1.0
   42    65    71    72  -0.32000 -1.0 2.0
   42    65    71    72   0.00600  1.0 3.0
   42    65    71    39   0.15800  1.0 1.0
   42    65    71    39   1.85350 -1.0 2.0
   42    65    71    39  -0.48700  1.0 3.0
   45    42    65    59   3.62500 -1.0 2.0
   45    42    65    71   3.62500 -1.0 2.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50   -55    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    55   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    65   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   55    59   -65    42   3.62500 -1.0 2.0
   55    59    65    71   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    65   3.62500 -1.0 2.0
   59    65    71    72  -0.01750  1.0 1.0
   59    65    71    72  -0.32000 -1.0 2.0
   59    65    71    72   0.00600  1.0 3.0
   59    65    71    39   0.15800  1.0 1.0
   59    65    71    39   1.85350 -1.0 2.0
   59    65    71    39  -0.48700  1.0 3.0
   60    59    65    42   3.62500 -1.0 2.0
   60    59    65    71   3.62500 -1.0 2.0
   65    42    45    46   3.62500 -1.0 2.0
   65    42   -45    50   3.62500 -1.0 2.0
   65    71   -39    33   7.00000 -1.0 2.0
   65    71    39    43   7.00000 -1.0 2.0
   71    39    43    44   0.00000  1.0 1.0
   71    39    43    47   0.09850  1.0 1.0
   71    39    43    47   0.15250 -1.0 2.0
   71    39    43    47  -0.50650  1.0 3.0
   71    39    43    68   0.09850  1.0 1.0
   71    39    43    68   0.15250 -1.0 2.0
   71    39    43    68  -0.50650  1.0 3.0
   72    71    39    33   7.00000 -1.0 2.0
   72    71    39    43   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.65300  1.0 1.0
   39    33   -37    42  -0.03850 -1.0 2.0
   39    33   -37    42   0.33900  1.0 3.0
   39    33    40    41  -0.07800  1.0 1.0
   39    33    40    41  -0.21500 -1.0 2.0
   39    33    40    41  -0.03150  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    52   0.34400  1.0 1.0
   39    43    47    52   0.09450 -1.0 2.0
   39    43    47    52   0.11100  1.0 3.0
   39    43    68    62   0.34400  1.0 1.0
   39    43    68    62   0.09450 -1.0 2.0
   39    43    68    62   0.11100  1.0 3.0
   39    43    68    69   0.15000  1.0 3.0
   39    43    68    70   0.15000  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    68    62   0.15000  1.0 3.0
   44    43    68    69   0.15000  1.0 3.0
   44    43    68    70   0.15000  1.0 3.0
   47    43    68    62   0.56750  1.0 1.0
   47    43    68    62  -0.07550 -1.0 2.0
   47    43    68    62   0.20000  1.0 3.0
   47    43    68    69   0.15000  1.0 3.0
   47    43    68    70   0.15000  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    61  -0.03700  1.0 1.0
   47    52    57    61   0.37200 -1.0 2.0
   47    52    57    61  -0.47300  1.0 3.0
   47    52   -57    62   0.56750  1.0 1.0
   47    52   -57    62  -0.07550 -1.0 2.0
   47    52   -57    62   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    61    66   0.04150 -1.0 2.0
   52    57    61    79   0.04150 -1.0 2.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    68   0.56750  1.0 1.0
   52    57    62    68  -0.07550 -1.0 2.0
   52    57    62    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    61   0.43200  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    61   0.43200  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   57    61    66    67   3.62500 -1.0 2.0
   57    61    66    73   3.62500 -1.0 2.0
   57    61    79    77   3.62500 -1.0 2.0
   57    61    79    80   3.62500 -1.0 2.0
   57    62   -68    43   0.56750  1.0 1.0
   57    62   -68    43  -0.07550 -1.0 2.0
   57    62   -68    43   0.20000  1.0 3.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   58    57    61    79   0.00000  1.0 1.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   61    57    62    63   0.43200  1.0 3.0
   61    57    62    64   0.43200  1.0 3.0
   61    57    62    68  -0.03700  1.0 1.0
   61    57    62    68   0.37200 -1.0 2.0
   61    57    62    68  -0.47300  1.0 3.0
   61    66    73    74   3.62500 -1.0 2.0
   61    66    73    75   3.62500 -1.0 2.0
   66    61    79    77   3.62500 -1.0 2.0
   66    61    79    80   3.62500 -1.0 2.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73   -75    77   3.62500 -1.0 2.0
   67    66    73    74   3.62500 -1.0 2.0
   67    66    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    61   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    61   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    61    66    67   3.62500 -1.0 2.0
   79    61   -66    73   3.62500 -1.0 2.0
   62    57    61    66   0.04150 -1.0 2.0
   62    57    61    79   0.04150 -1.0 2.0
   63    62    68    43   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   64    62    68    43   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   68    43    47    48   0.15000  1.0 3.0
   68    43    47    49   0.15000  1.0 3.0
   68    43   -47    52   0.56750  1.0 1.0
   68    43   -47    52  -0.07550 -1.0 2.0
   68    43   -47    52   0.20000  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    42   0.65300  1.0 1.0
   40    33    37    42  -0.03850 -1.0 2.0
   40    33    37    42   0.33900  1.0 3.0
   40    33    39    71   0.67800  1.0 1.0
   40    33    39    71   0.47050 -1.0 2.0
   40    33    39    71  -0.62500  1.0 3.0
   40    33    39    43   0.18000  1.0 1.0
   40    33    39    43   0.16450 -1.0 2.0
   40    33    39    43   0.04450  1.0 3.0
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    38  10.50000 -1.0 2.0
   45    65    42    37   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   59    56    55    50   1.10000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   59    71    65    42   4.00000 -1.0 2.0
   65    72    71    39   1.10000 -1.0 2.0
   33    43    39    71   1.10000 -1.0 2.0
   66    79    61    57   4.00000 -1.0 2.0
   73    67    66    61   1.10000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    61   1.10000 -1.0 2.0
END
