* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    146    244     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02122    80.95943   -82.52775
    3     1 S   H    _H1_     3     1.02060    98.07729    25.23324
    4     1 S   H    _H2_     4     1.02134    35.57906   136.24270
    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     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C22    36     1.83847    97.50650  -178.14280
   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  _C16    37     1.53278   107.19298    60.00405
   38    37 S   O    _O24    38     1.23515   120.70527   -97.77130
   39    33 S   CT   _C20    70     1.53083   110.07506  -177.70962
   40    39 S   HC   _H37    71     1.08435   112.40927    45.39176
   41    33 S   C    _C17    76     1.50726   105.73050   -60.92543
   42    41 S   O    _O25    77     1.22868   122.09298   116.09889
   43    37 S   CT   _C21    39     1.53628   118.75207    78.49662
   44    39 S   OH   _O28    72     1.42616   111.58804   165.67996
   45    44 S   HO   _H45    73     0.97216   106.83228   -57.23404
   46    41 S   N    _N21    78     1.37502   113.79087   -63.01281
   47    46 S   H    _H41    79     1.01465   118.68533    -0.01978
   48    46 S   H    _H42    80     1.01538   122.62745   179.97202
   49    43 S   CO4  _C14    40     1.52540   112.72587   -86.92063
   50    49 S   O    _O22    41     1.22873   121.37815   -39.01049
   51    43 S   OH   _O29    74     1.43323   106.23875   160.91388
   52    51 S   HO   _H46    75     0.96863   106.48524    58.79758
   53    49 S   CA   _C8_    42     1.48366   119.22333   142.95062
   54    53 S   CA   _C9_    43     1.39593   120.32899     9.24127
   55    54 S   CA   _C10    44     1.40310   119.08626   178.37755
   56    54 S   CT   _C18    63     1.50278   121.23310     0.73728
   57    56 S   HC   _H34    64     1.09707   111.38062    87.78967
   58    56 S   HC   _H35    65     1.09748   107.96681  -154.96509
   59    55 S   CA   _C6_    45     1.40485   121.26537     1.17536
   60    55 S   CT   _C23    59     1.50141   115.43743   179.73905
   61    60 S   HC   _H38    60     1.09388   109.82311   -88.45990
   62    60 S   HC   _H39    61     1.09328   110.77112    31.98863
   63    60 S   HC   _H40    62     1.09369   110.74831   151.03174
   64    43 S   CT   _C19    66     1.52890   112.32962    44.11642
   65    64 S   HC   _H36    67     1.12928   106.71406    68.69383
   66    59 S   CA   _C7_    46     1.41223   119.28299    -0.52638
   67    64 S   CO4  _C15    68     1.52701   111.34673   -45.87866
   68    67 S   O    _O23    69     1.23054   122.71734  -131.13706
   69    66 S   CA   _C11    47     1.40439   119.26919   179.87180
   70    53 S   CA   _C12    56     1.40136   119.29406  -171.30586
   71    69 S   CA   _C4_    48     1.39514   120.70896     0.09691
   72    71 S   HA   _H32    49     1.08754   120.46571  -179.91607
   73    69 S   OH   _O26    54     1.36650   123.19615  -179.91607
   74    73 S   HO   _H43    55     0.96878   110.03448  -180.00000
   75    70 S   OH   _O27    57     1.36763   119.72858     1.12082
   76    75 S   HO   _H44    58     0.96865   109.86246    -0.23739
   77    71 S   CA   _C5_    50     1.39085   120.02793    -0.04423
   78    77 S   HA   _H33    51     1.08832   118.48551   179.84934
   79    59 S   CA   _C13    52     1.40452   121.41483   179.44751
   80    79 S   Cl   CL31    53     1.73960   126.98007     0.77909
  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  11   5   4   3
  17   2   1   1  17   6  12   6   7   3  14   4   1   2   1   1
  13   5   6   1  13  16  15   9   4   3  14   5   2   1   1   3
   2  11   1   1   9   5   7   4   2   1   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    67    39    40    44    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    49    64    67    68    39    40    44    45    51    41    42    46    47    48  
   35    36  
   36  
    0  
   38    43    49    50    53    56    64    65    67    39    40    44    51    52    41    42    46  
   43    49    64    39    51    41  
   40    44    45    41    42    46    43    56    64    65    67    68  
   44    45    41    64    67    68  
   42    46    47    48    43    44    67  
   46    47    48  
   49    50    53    54    70    56    57    58    64    65    67    68    51    52  
   45    64    67    68  
   67  
   47    48  
   48  
    0  
   50    53    54    55    66    70    75    56    64    65    67    51    52  
   53    54    70    64    51  
   52    53    56    64    65    67  
   64  
   54    55    59    66    69    70    75    76    60    56    57    58    64  
   55    59    66    79    70    75    60    61    62    63    56    57    58    64    65    67  
   59    66    69    77    79    80    70    60    61    62    63    56    57    58    64  
   57    58    64    65    67    68    59    60    70  
   58    64    65    67  
   64    65    67  
   66    69    71    77    78    79    80    73    70    75    60    61    62    63  
   61    62    63    66    79  
   62    63  
   63  
    0  
   65    67    68  
   67    68  
   69    71    72    77    79    80    73    74    70    75    76  
   68  
    0  
   71    72    77    78    79    73    74    70    75  
   75    76    71    73    79  
   72    77    78    79    80    73    74  
   77    78    79    73  
   74    77  
    0  
   76  
    0  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   268.000  1.529
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    49   317.000  1.522
   43    64   268.000  1.529
   43    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    70   469.000  1.400
   54    55   469.000  1.400
   54    56   317.000  1.510
   55    59   469.000  1.400
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    79   469.000  1.400
   66    69   469.000  1.400
   66    70   469.000  1.400
   69    71   469.000  1.400
   69    73   450.000  1.364
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   300.000  1.725
   73    74   553.000  0.945
   70    75   450.000  1.364
   75    76   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    67   317.000  1.522
   67    68   570.000  1.229
   67    39   317.000  1.522
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   51    52   553.000  0.945
   41    42   570.000  1.229
   41    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  111.63000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    67    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    42    80.00000  120.40000
   33    41    46    70.00000  116.60000
   37    43    49    75.00000  107.99600
   37    43    64    63.00000  111.10000
   37    43    51    90.00000  109.61100
   43    37    38    80.00000  120.40000
   43    49    50    80.00000  120.40000
   43    49    53    65.00000  115.47100
   43    64    56    58.35000  112.70000
   43    64    65    37.50000  110.70000
   43    64    67    63.00000  111.10000
   43    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    70    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    55    63.00000  120.00000
   53    54    56    70.00000  120.00000
   53    70    66    63.00000  120.00000
   53    70    75    70.00000  120.00000
   54    55    59    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.17500
   55    59    66    63.00000  120.00000
   55    59    79    63.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    69    63.00000  120.00000
   59    66    70    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    75.00000  120.00000
   66    69    71    63.00000  120.00000
   66    69    73    70.00000  120.00000
   66    70    75    70.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    77    63.00000  120.00000
   69    73    74    35.00000  113.00000
   71    77    78    35.00000  120.00000
   71    77    79    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    79    80    75.00000  120.00000
   79    59    66    63.00000  120.00000
   79    77    78    35.00000  120.00000
   73    69    71    70.00000  120.00000
   70    53    54    63.00000  120.00000
   70    66    69    63.00000  120.00000
   70    75    76    35.00000  113.00000
   60    55    59    70.00000  120.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    67    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    43    49    63.00000  111.10000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    67    68    80.00000  120.40000
   64    67    39    70.00000  116.00000
   67    64    65    35.00000  109.50000
   67    39    40    35.00000  109.50000
   67    39    44    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    67    68    80.00000  120.40000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   51    43    49    90.00000  109.61100
   51    43    64    50.00000  109.50000
   41    33    37    70.00000  107.85200
   41    33    39    63.00000  111.10000
   41    46    47    35.00000  119.80000
   41    46    48    35.00000  119.80000
   46    41    42    80.00000  122.90000
   48    46    47    35.00000  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   0.01700  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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    46   0.00000  1.0 1.0
   33    37    43    49   0.65300  1.0 1.0
   33    37    43    49  -0.03850 -1.0 2.0
   33    37    43    49   0.33900  1.0 3.0
   33    37    43    64   0.60050  1.0 1.0
   33    37    43    64   0.05600 -1.0 2.0
   33    37    43    64   0.26150  1.0 3.0
   33    37    43    51   0.55300  1.0 1.0
   33    37    43    51   1.25850 -1.0 2.0
   33    37    43    51  -0.23600  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   2.45000 -1.0 2.0
   33    41    46    48   2.45000 -1.0 2.0
   37    33    39    67   0.11950  1.0 1.0
   37    33    39    67   0.20300 -1.0 2.0
   37    33    39    67  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    46   0.00000  1.0 1.0
   37    43    49    50   0.30150 -1.0 2.0
   37    43    49    53   0.65300  1.0 1.0
   37    43    49    53  -0.03850 -1.0 2.0
   37    43    49    53   0.33900  1.0 3.0
   37    43    64    56  -0.95700  1.0 1.0
   37    43    64    56  -0.18200 -1.0 2.0
   37    43    64    56   0.29450  1.0 3.0
   37    43    64    65  -0.11250  1.0 3.0
   37    43   -64    67   0.11950  1.0 1.0
   37    43   -64    67   0.20300 -1.0 2.0
   37    43   -64    67  -0.70800  1.0 3.0
   37    43    51    52   0.91850  1.0 1.0
   37    43    51    52   0.57950  1.0 3.0
   38    37    43    49   0.30150 -1.0 2.0
   38    37    43    64   0.30150 -1.0 2.0
   38    37    43    51   0.30150 -1.0 2.0
   43    49    53    54   2.26350  1.0 1.0
   43    49    53    54   0.76750 -1.0 2.0
   43    49    53    54   0.22500  1.0 3.0
   43    49    53    70   2.26350  1.0 1.0
   43    49    53    70   0.76750 -1.0 2.0
   43    49    53    70   0.22500  1.0 3.0
   43    64    67    68   0.30150 -1.0 2.0
   43    64    67    39   0.60050  1.0 1.0
   43    64    67    39   0.05600 -1.0 2.0
   43    64    67    39   0.26150  1.0 3.0
   49    43    64    56  -0.95700  1.0 1.0
   49    43    64    56  -0.18200 -1.0 2.0
   49    43    64    56   0.29450  1.0 3.0
   49    43    64    65  -0.11250  1.0 3.0
   49    43    64    67   0.11950  1.0 1.0
   49    43    64    67   0.20300 -1.0 2.0
   49    43    64    67  -0.70800  1.0 3.0
   49    43    51    52   0.91850  1.0 1.0
   49    43    51    52   0.57950  1.0 3.0
   49    53    54    55   3.62500 -1.0 2.0
   49    53   -54    56   3.62500 -1.0 2.0
   49    53    70    66   3.62500 -1.0 2.0
   49    53    70    75   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    70   1.05000 -1.0 2.0
   53    54    55    59   3.62500 -1.0 2.0
   53    54    55    60   3.62500 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.04150 -1.0 2.0
   53    70    75    76   0.84100 -1.0 2.0
   54    53    70    66   3.62500 -1.0 2.0
   54    53    70    75   3.62500 -1.0 2.0
   54    55   -59    66   3.62500 -1.0 2.0
   54    55    59    79   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    43  -0.03700  1.0 1.0
   54    56   -64    43   0.37200 -1.0 2.0
   54    56   -64    43  -0.47300  1.0 3.0
   54    56    64    65   0.43200  1.0 3.0
   54    56    64    67   0.56750  1.0 1.0
   54    56    64    67  -0.07550 -1.0 2.0
   54    56    64    67   0.20000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.04150 -1.0 2.0
   55    59    66    69   3.62500 -1.0 2.0
   55    59    66    70   3.62500 -1.0 2.0
   55    59    79    77   3.62500 -1.0 2.0
   55    59    79    80   3.62500 -1.0 2.0
   59    55    60    61   0.00000  1.0 1.0
   59    55    60    62   0.00000  1.0 1.0
   59    55    60    63   0.00000  1.0 1.0
   59    66    69    71   3.62500 -1.0 2.0
   59    66    69    73   3.62500 -1.0 2.0
   59    66   -70    53   3.62500 -1.0 2.0
   59    66    70    75   3.62500 -1.0 2.0
   66    59    79    77   3.62500 -1.0 2.0
   66    59    79    80   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69   -71    77   3.62500 -1.0 2.0
   66    69    73    74   0.84100 -1.0 2.0
   66    70    75    76   0.84100 -1.0 2.0
   69    66    70    53   3.62500 -1.0 2.0
   69    66    70    75   3.62500 -1.0 2.0
   69    71    77    78   3.62500 -1.0 2.0
   69    71    77    79   3.62500 -1.0 2.0
   71    69    73    74   0.84100 -1.0 2.0
   71    77   -79    59   3.62500 -1.0 2.0
   71    77    79    80   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   72    71    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59   -66    69   3.62500 -1.0 2.0
   79    59    66    70   3.62500 -1.0 2.0
   73    69    71    72   3.62500 -1.0 2.0
   73    69    71    77   3.62500 -1.0 2.0
   70    53   -54    55   3.62500 -1.0 2.0
   70    53    54    56   3.62500 -1.0 2.0
   70    66    69    71   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   60    55    59    66   3.62500 -1.0 2.0
   60    55    59    79   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   56    64    67    68   0.30150 -1.0 2.0
   56    64    67    39   0.60050  1.0 1.0
   56    64    67    39   0.05600 -1.0 2.0
   56    64    67    39   0.26150  1.0 3.0
   57    56    64    43   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    67  -0.11250  1.0 3.0
   58    56    64    43   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    67  -0.11250  1.0 3.0
   64    43    49    50   0.30150 -1.0 2.0
   64    43   -49    53   0.05850 -1.0 2.0
   64    43   -49    53   0.17250  1.0 3.0
   64    43    51    52  -0.11600  1.0 1.0
   64    43    51    52  -0.09450 -1.0 2.0
   64    43    51    52   0.21250  1.0 3.0
   64    67   -39    33   0.60050  1.0 1.0
   64    67   -39    33   0.05600 -1.0 2.0
   64    67   -39    33   0.26150  1.0 3.0
   64    67    39    40   0.00000  1.0 1.0
   64    67    39    44   0.55300  1.0 1.0
   64    67    39    44   1.25850 -1.0 2.0
   64    67    39    44  -0.23600  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    39   0.00000  1.0 1.0
   67    39    44    45   0.91850  1.0 1.0
   67    39    44    45   0.57950  1.0 3.0
   68    67    39    33   0.30150 -1.0 2.0
   68    67    39    40   0.00000  1.0 1.0
   68    67    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    46   1.39750  1.0 1.0
   39    33    41    46  -0.07950 -1.0 2.0
   39    33    41    46  -0.18750  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   51    43    49    50   0.30150 -1.0 2.0
   51    43    49    53   0.65300  1.0 1.0
   51    43    49    53  -0.03850 -1.0 2.0
   51    43    49    53   0.33900  1.0 3.0
   51    43    64    56   0.86500  1.0 1.0
   51    43    64    56  -0.17500 -1.0 2.0
   51    43    64    56   0.20800  1.0 3.0
   51    43    64    65   0.23400  1.0 3.0
   51    43    64    67  -0.09450  1.0 1.0
   51    43    64    67  -1.12950 -1.0 2.0
   51    43    64    67   0.54000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    67   0.11950  1.0 1.0
   41    33    39    67   0.20300 -1.0 2.0
   41    33    39    67  -0.70800  1.0 3.0
   41    33    39    40  -0.11250  1.0 3.0
   41    33    39    44  -0.09450  1.0 1.0
   41    33    39    44  -1.12950 -1.0 2.0
   41    33    39    44   0.54000  1.0 3.0
   42    41    46    47   2.45000 -1.0 2.0
   42    41    46    48   2.45000 -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    43    37    38  10.50000 -1.0 2.0
   43    53    49    50  10.50000 -1.0 2.0
   54    70    53    49   4.00000 -1.0 2.0
   55    56    54    53   4.00000 -1.0 2.0
   59    60    55    54   4.00000 -1.0 2.0
   66    79    59    55   4.00000 -1.0 2.0
   69    70    66    59   4.00000 -1.0 2.0
   71    73    69    66   4.00000 -1.0 2.0
   77    72    71    69   1.10000 -1.0 2.0
   79    78    77    71   1.10000 -1.0 2.0
   77    80    79    59   4.00000 -1.0 2.0
   66    75    70    53   4.00000 -1.0 2.0
   64    39    67    68  10.50000 -1.0 2.0
   33    46    41    42  10.50000 -1.0 2.0
   48    41    46    47   1.00000 -1.0 2.0
END
