* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    146    205     419
    1     0 S   NP   _N1_     1    28.46495    94.99629   -21.52016
    2     1 S   H    _HN1     2     1.02781    93.58575   -64.56111
    3     1 S   H    _H1_     3     1.02970    87.66163    43.62966
    4     1 S   H    _H2_     4     1.02830    29.90605   174.74577
    5     1 S   CT   _CA1     5     1.50133   140.33220   163.32542
    6     5 S   HC   _HA1     6     1.09543   105.08827    64.89657
    7     5 S   CO3  _C1_     7     1.53817   112.58198   -54.81203
    8     7 S   O2Z  _O11     8     1.26323   115.00585   -41.33954
    9     7 S   O2Z  _O12     9     1.26302   114.94217   137.72841
   10     5 S   CT   _CB1    10     1.53116   107.34087  -177.53296
   11    10 S   HC   HB11    11     1.09810   109.07622   -54.15647
   12    10 S   HC   HB12    12     1.09812   110.43584    62.33245
   13    10 S   CT   _CG1    13     1.52853   112.71457  -175.51909
   14    13 S   HC   HG11    14     1.09472   109.90775   -66.23876
   15    13 S   HC   HG12    15     1.09406   110.06454    52.76926
   16    13 S   C    _CD1    16     1.51700   112.85068   172.93359
   17    16 S   O    _OE1    17     1.22731   123.10715    -8.50946
   18    16 S   N    _N2_    18     1.38629   111.61629   172.34863
   19    18 S   H    _HN2    19     1.01796   118.87989     0.46225
   20    18 S   CT1  _CA2    20     1.46191   123.43267  -178.65914
   21    20 S   HC   _HA2    21     1.09762   109.20551   -10.23733
   22    20 S   C    _C2_    22     1.53524   108.99787  -125.57425
   23    22 S   O    _O2_    23     1.23062   122.22484  -147.47655
   24    20 S   CT   _CB2    32     1.53608   111.49898   111.57290
   25    24 S   HC   HB21    33     1.09451   109.29997    52.15770
   26    24 S   HC   HB22    34     1.09403   109.93592   171.17287
   27    22 S   N    _N3_    24     1.38469   113.57107    40.65143
   28    27 S   H    _HN3    25     1.01504   119.01671    -3.92096
   29    24 S   S    _SG2    35     1.83274   111.22284   -68.71427
   30    27 S   CT   _CA3    26     1.45491   123.38612   172.48971
   31    30 S   HC   HA31    27     1.09519   109.29092    23.20081
   32    30 S   HC   HA32    28     1.09398   107.37876   140.25360
   33    29 S   CT   _C18    36     1.89302   102.34363  -175.65503
   34    33 S   OM   _O40    37     1.32019   107.23742    64.94734
   35    30 S   CO3  _C3_    29     1.52964   113.15428  -100.21206
   36    35 S   O2Z  _O31    30     1.26408   115.57081   -42.46990
   37    35 S   O2Z  _O32    31     1.26401   114.94082   138.44236
   38    33 S   CM   _C19    38     1.54035   106.63368  -178.34082
   39    38 S   HC   _H20    39     1.09588   112.35711     6.89691
   40    33 S   CT   _C17    47     1.54839   110.44592   -54.78788
   41    40 S   HC   _H18    48     1.09662   111.77366  -178.30997
   42    40 S   HC   _H19    49     1.09901   110.44219    65.51036
   43    38 S   CMA  _C20    40     1.36702   135.07344  -175.08981
   44    43 S   OM   _O39    41     1.26894   124.72060  -178.19095
   45    40 S   CO4  _C16    50     1.53019   116.49084   -56.80881
   46    45 S   O    _O38    51     1.22925   123.20012   -18.64772
   47    43 S   S    _S1_    42     1.79801   116.32306     0.89263
   48    45 S   CT   _C15    52     1.51550   115.19487   162.96397
   49    48 S   HC   _H16    53     1.09476   108.15205   -58.06218
   50    48 S   HC   _H17    54     1.09502   108.95549    59.08514
   51    47 S   CT   _C21    43     1.80998    99.41433   108.12491
   52    51 S   HC   _H21    44     1.09334   109.07001  -175.46387
   53    51 S   HC   _H22    45     1.09341   110.75685    65.38696
   54    51 S   HC   _H23    46     1.09339   110.82380   -56.13958
   55    48 S   CO4  _C14    55     1.51274   114.70606   179.71607
   56    55 S   O    _O37    56     1.23217   121.42910   -58.61639
   57    55 S   CT   _C13    57     1.51070   117.85801   123.53514
   58    57 S   HC   _H14    58     1.09612   107.66360   172.82936
   59    57 S   HC   _H15    59     1.09478   108.40798    56.15209
   60    57 S   CO4  _C12    60     1.51423   115.53726   -66.49517
   61    60 S   O    _O36    61     1.22884   121.98709    10.51811
   62    60 S   CT   _C11    62     1.51508   115.49066  -168.26395
   63    62 S   HC   _H12    63     1.09496   107.15967    80.35047
   64    62 S   HC   _H13    64     1.09564   108.16437   -37.11016
   65    62 S   CO4  _C10    65     1.51496   116.91277  -157.56058
   66    65 S   O    _O35    66     1.22925   122.71007    10.33786
   67    65 S   CT   _C9_    67     1.51422   115.32780  -171.79044
   68    67 S   HC   _H10    68     1.09588   108.13327   -57.11625
   69    67 S   HC   _H11    69     1.09447   109.46112    59.95232
   70    67 S   CO4  _C8_    70     1.51022   114.87761  -177.60167
   71    70 S   O    _O34    71     1.23180   120.96990   102.86736
   72    70 S   CT   _C7_    72     1.51176   117.59278   -77.27145
   73    72 S   HC   _H8_    73     1.09496   107.40351  -116.06037
   74    72 S   HC   _H9_    74     1.09359   109.40399     1.10252
   75    72 S   CO4  _C6_    75     1.51268   114.71893   122.42378
   76    75 S   O    _O33    76     1.22922   122.05159    -8.08639
   77    75 S   CT   _C5_    77     1.51885   115.79074   172.26447
   78    77 S   HC   _H6_    78     1.09481   108.36768    48.27899
   79    77 S   HC   _H7_    79     1.09474   108.11089   -69.28422
   80    77 S   CT   _C4_    80     1.51789   112.56614   169.03077
   81    80 S   HC   _H3_    81     1.09495   111.15998    60.30029
   82    80 S   HC   _H4_    82     1.09490   110.93125   -59.71824
   83    80 S   HC   _H5_    83     1.09425   110.38722  -179.62885
  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
  12   7   2   1   1   9   4   9   4   3   6   2   7   4   4   8
   4   3   3   2   1   1   7   4   8   4   3   7   4   8   4   3
   7   4   8   4   3   7   4   8   4   3   8   4   6   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    49    50    55    43  
   42    45    46    48  
   45    46    48  
   44    47    51    52    53    54  
   47    51  
   46    48    49    50    55    56    57  
   48    49    50    55  
   51    52    53    54  
   49    50    55    56    57    58    59    60  
   50    55    56    57  
   55    56    57  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59    60  
   58    59    60    61    62    63    64    65  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    67  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80    81    82    83  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.6000   0.3550  -0.575000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   240.000  1.763
   47    51   222.000  1.810
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.11800
   43    38    39    40.00000  120.50800
   43    47    51    85.00000  102.41200
   47    43    44    95.00000  113.88000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    55    75.00000  107.99600
   48    45    46    80.00000  120.40000
   48    55    56    80.00000  120.40000
   48    55    57    70.00000  116.00000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  107.99600
   57    55    56    80.00000  120.40000
   57    60    61    80.00000  120.40000
   57    60    62    70.00000  116.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    75.00000  107.99600
   62    60    61    80.00000  120.40000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    75.00000  107.99600
   67    65    66    80.00000  120.40000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    75.00000  107.99600
   72    70    71    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  116.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    63.00000  111.10000
   77    75    76    80.00000  120.40000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.60050  1.0 1.0
   33    40    45    48   0.05600 -1.0 2.0
   33    40    45    48   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    51   1.00000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.24000  1.0 3.0
   43    47    51    53   0.24000  1.0 3.0
   43    47    51    54   0.24000  1.0 3.0
   44    43    47    51   1.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    49   0.00000  1.0 1.0
   40    45    48    50   0.00000  1.0 1.0
   40    45    48    55   0.65300  1.0 1.0
   40    45    48    55  -0.03850 -1.0 2.0
   40    45    48    55   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56   0.30150 -1.0 2.0
   45    48    55    57   0.65300  1.0 1.0
   45    48    55    57  -0.03850 -1.0 2.0
   45    48    55    57   0.33900  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    55   0.30150 -1.0 2.0
   48    55    57    58   0.00000  1.0 1.0
   48    55    57    59   0.00000  1.0 1.0
   48    55    57    60   0.65300  1.0 1.0
   48    55    57    60  -0.03850 -1.0 2.0
   48    55    57    60   0.33900  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    57   0.00000  1.0 1.0
   55    57    60    61   0.30150 -1.0 2.0
   55    57    60    62   0.65300  1.0 1.0
   55    57    60    62  -0.03850 -1.0 2.0
   55    57    60    62   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65   0.65300  1.0 1.0
   57    60    62    65  -0.03850 -1.0 2.0
   57    60    62    65   0.33900  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    65    66   0.30150 -1.0 2.0
   60    62    65    67   0.65300  1.0 1.0
   60    62    65    67  -0.03850 -1.0 2.0
   60    62    65    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    67    68   0.00000  1.0 1.0
   62    65    67    69   0.00000  1.0 1.0
   62    65    67    70   0.65300  1.0 1.0
   62    65    67    70  -0.03850 -1.0 2.0
   62    65    67    70   0.33900  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    70    71   0.30150 -1.0 2.0
   65    67    70    72   0.65300  1.0 1.0
   65    67    70    72  -0.03850 -1.0 2.0
   65    67    70    72   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    72    73   0.00000  1.0 1.0
   67    70    72    74   0.00000  1.0 1.0
   67    70    72    75   0.65300  1.0 1.0
   67    70    72    75  -0.03850 -1.0 2.0
   67    70    72    75   0.33900  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    75    76   0.30150 -1.0 2.0
   70    72    75    77   0.65300  1.0 1.0
   70    72    75    77  -0.03850 -1.0 2.0
   70    72    75    77   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.30150 -1.0 2.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.60050  1.0 1.0
   72    75    77    80   0.05600 -1.0 2.0
   72    75    77    80   0.26150  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    80    81  -0.11250  1.0 3.0
   75    77    80    82  -0.11250  1.0 3.0
   75    77    80    83  -0.11250  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.30150 -1.0 2.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   44    47    43    38  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   48    57    55    56  10.50000 -1.0 2.0
   57    62    60    61  10.50000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
END
