* 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     1.02100    33.20781   176.32816
    3     1 S   H    _H1_     3     1.02068    93.24591   -63.70559
    4     1 S   H    _H2_     4     1.02049    87.16579    44.89161
    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     1.83988    97.61370   161.84148
   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     1.53079   106.53491   -80.00384
   38    37 S   O    _O24    38     1.23470   121.08034    66.83428
   39    33 S   CT   _C20    70     1.53530   111.29673   158.07435
   40    39 S   HC   _H37    71     1.09658   109.87763  -171.90830
   41    33 S   C    _C17    76     1.50639   106.65015    38.56046
   42    41 S   O    _O25    77     1.22857   122.06804  -116.51772
   43    37 S   CT   _C21    39     1.52878   117.94756  -114.74926
   44    39 S   OH   _O28    72     1.41984   112.13212   -53.68668
   45    44 S   HO   _H45    73     0.97093   106.86418  -174.63933
   46    41 S   N    _N21    78     1.37498   113.82210    64.37515
   47    46 S   H    _H41    79     1.01482   118.66255    -0.05935
   48    46 S   H    _H42    80     1.01431   122.66712  -180.00000
   49    43 S   CO4  _C14    40     1.52298   113.03735   -83.92985
   50    49 S   O    _O22    41     1.22844   121.55991   -29.50513
   51    43 S   OH   _O29    74     1.42686   107.10674   161.57908
   52    51 S   HO   _H46    75     0.96902   106.51488    60.14076
   53    49 S   CA   _C8_    42     1.48632   118.58216   152.15990
   54    53 S   CA   _C9_    43     1.39781   120.52022    -0.49968
   55    54 S   CA   _C10    44     1.40332   119.02537   178.96505
   56    54 S   CT   _C18    63     1.50507   121.83615     1.33603
   57    56 S   HC   _H34    64     1.09863   111.29011    92.60462
   58    56 S   HC   _H35    65     1.09845   107.90853  -150.41508
   59    55 S   CA   _C6_    45     1.40520   121.34267     1.21370
   60    55 S   CT   _C23    59     1.50120   115.38466   179.73459
   61    60 S   HC   _H38    60     1.09351   109.91615   -88.48853
   62    60 S   HC   _H39    61     1.09358   110.76308    32.03180
   63    60 S   HC   _H40    62     1.09419   110.80677   150.99842
   64    43 S   CT   _C19    66     1.52980   110.47329    43.90083
   65    64 S   HC   _H36    67     1.12255   107.47959    63.74875
   66    59 S   CA   _C7_    46     1.41265   119.22892    -0.48295
   67    64 S   CO4  _C15    68     1.52845   112.32902   -52.20644
   68    67 S   O    _O23    69     1.23191   121.34461  -169.30051
   69    66 S   CA   _C11    47     1.40473   119.18622   179.96574
   70    53 S   CA   _C12    56     1.40203   119.19611   179.68847
   71    69 S   CA   _C4_    48     1.39544   120.78601    -0.00000
   72    71 S   HA   _H32    49     1.08619   120.47683  -179.96044
   73    69 S   OH   _O26    54     1.36657   123.13877  -179.98022
   74    73 S   HO   _H43    55     0.96871   110.00657   179.98022
   75    70 S   OH   _O27    57     1.36809   119.61984     0.77934
   76    75 S   HO   _H44    58     0.96848   109.91872    -0.42151
   77    71 S   CA   _C5_    50     1.39076   119.97980     0.06561
   78    77 S   HA   _H33    51     1.08786   118.45280   179.84934
   79    59 S   CA   _C13    52     1.40413   121.41888   179.52895
   80    79 S   Cl   CL31    53     1.73984   127.00425     0.70109
  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
