* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    245     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02104   106.14401   -23.93045
    3     1 S   H    _H1_     3     1.02151    61.91528    79.00660
    4     1 S   H    _H2_     4     1.02137    50.36538  -125.10118
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   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   _C16    36     1.83643    97.82764   161.83745
   34    33 S   HC   _H3_    37     1.03359    97.93194    31.21417
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.51439   113.58921   -80.05923
   39    38 S   CMA  _C10    39     1.35474   123.08516  -166.60138
   40    39 S   OM   _O21    40     1.26438   129.82748  -178.77443
   41    38 S   OS   _O24    78     1.38826   115.92632    15.96957
   42    39 S   CT   _C13    41     1.53131   119.54410     1.28831
   43    42 S   HC   _H30    42     1.09742   107.83695   120.22584
   44    42 S   HC   _H31    43     1.10089   109.66122  -125.24391
   45    41 S   CT   _C22    79     1.40431   112.36650  -122.50491
   46    45 S   HC   _H45    80     1.09238   109.53927  -179.98022
   47    45 S   HC   _H46    81     1.09284   109.50260    59.20863
   48    45 S   HC   _H47    82     1.09270   109.00311   -60.38504
   49    42 S   CT   _C17    44     1.55402   116.15722    -4.11152
   50    49 S   HC   _H37    45     1.09961   105.38396   -81.94479
   51    49 S   CT   _C18    46     1.54190   113.10282   160.89886
   52    51 S   HC   _H38    47     1.09844   109.35778    53.97351
   53    33 S   CT   _C19    59     1.57760   117.25779   145.54079
   54    51 S   CT   _C12    48     1.54085   110.72664   -63.10596
   55    54 S   HC   _H28    49     1.09846   110.28778  -157.68945
   56    54 S   HC   _H29    50     1.09897   108.27430    87.11956
   57    53 S   CT   _C14    60     1.56002   109.97972   -52.66946
   58    57 S   HC   _H32    61     1.09771   110.46789    74.07582
   59    57 S   HC   _H33    62     1.09904   109.32995   -42.78303
   60    51 S   NT   _N20    66     1.47993   112.84532   173.53383
   61    54 S   CA   _C6_    51     1.51470   115.30241   -33.18813
   62    57 S   CT   _C15    63     1.53299   114.38990  -163.52132
   63    62 S   HC   _H34    64     1.09761   109.26506   171.40102
   64    62 S   HC   _H35    65     1.09685   109.50065   -75.29310
   65    60 S   CT   _C20    67     1.46209   112.61973   -72.69252
   66    65 S   HC   _H39    68     1.09373   110.06261   -51.58496
   67    65 S   HC   _H40    69     1.09270   110.25125  -171.58035
   68    65 S   HC   _H41    70     1.09301   110.19397    68.36474
   69    61 S   CA   _C4_    52     1.40749   116.80453  -178.07329
   70    69 S   HA   _H26    53     1.08807   120.08101     1.01008
   71    69 S   CA   _C5_    54     1.38854   120.84549  -178.73607
   72    71 S   HA   _H27    55     1.08700   119.86473  -180.00000
   73    71 S   CA   _C8_    56     1.38605   119.39926     0.05595
   74    73 S   CA   _C9_    57     1.39834   120.34608    -0.01978
   75    73 S   OS   _O23    73     1.36486   118.82974  -179.82754
   76    61 S   CA   _C7_    58     1.41967   122.75744     3.48796
   77    74 S   OH   _O22    71     1.35814   114.59732  -178.71169
   78    77 S   HO   _H48    72     0.97167   110.44694    -1.12726
   79    75 S   CT   _C21    74     1.42499   116.98330   -90.26185
   80    79 S   HC   _H42    75     1.09329   109.52764  -179.97202
   81    79 S   HC   _H43    76     1.09243   109.52522    59.24253
   82    79 S   HC   _H44    77     1.09227   109.01289   -60.39586
  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
  18   7   2   1   1  14  10   5   6  11   5   4   3   2   1   1
  16   7  17   8  14  11   5   4  10   6   5   8   8   7   2   1
   3   2   1   1   7   4   7   3   9   5   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    76    53    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    51    61    74    76    53    57    58    59    62    41    45  
   38    39    49    76    53    57    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    76    53    57    41    45    46    47    48  
   40    42    43    44    49    50    51    53    41    45  
   42    43    44    49    41  
   45    46    47    48    42    53  
   43    44    49    50    51    52    54    76    53    57    60  
   44    49    50    51    53  
   49    50    51    53  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    54    55    56    61    74    76    53    57    58    59    62    60    65  
   51    52    54    76    53    57    60  
   52    54    55    56    61    69    76    53    57    62    63    64    60    65    66    67    68  
   54    55    56    61    53    62    60    65  
   57    58    59    62    63    64    60    77    54    61    69    73    74    76  
   55    56    61    69    70    71    74    76    62    60    65  
   56    61    69    76    60  
   61    69    76    60  
   58    59    62    63    64    60    65    61    74    76  
   59    62    63    64    60    76  
   62    63    64    60    76  
   65    66    67    68    61    62    63    64  
   69    70    71    72    73    74    76    77  
   63    64    65    66    67    68    76  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    76    75  
   71    72    73    76  
   72    73    74    76    77    75    79  
   73    74    75  
   74    76    77    78    75    79    80    81    82  
   76    77    78    75    79  
   79    80    81    82    76    77  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   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   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    60   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   317.000  1.510
   61    69   469.000  1.400
   61    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    53   317.000  1.510
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    60   382.000  1.448
   60    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   77    78   553.000  0.945
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    53    49    58.35000  112.70000
   33    53    76    70.00000  112.17500
   33    53    57    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    51    58.35000  112.70000
   42    49    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    51    60    56.20000  109.47000
   49    53    76    70.00000  112.17500
   49    53    57    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    61    70.00000  112.17500
   51    60    62    51.80000  107.20000
   51    60    65    51.80000  107.20000
   54    51    52    37.50000  110.70000
   54    61    69    70.00000  120.00000
   54    61    76    70.00000  120.00000
   56    54    55    33.00000  107.80000
   61    54    55    35.00000  109.50000
   61    54    56    35.00000  109.50000
   61    69    70    35.00000  120.00000
   61    69    71    63.00000  120.00000
   61    76    74    63.00000  120.00000
   61    76    53    70.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    53    70.00000  120.00000
   74    77    78    35.00000  113.00000
   76    61    69    63.00000  120.00000
   76    53    57    70.00000  112.17500
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    62    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    60    56.20000  109.47000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    60    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    54    56.20000  109.47000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   77    74    76    70.00000  120.00000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.32350  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    76   0.56750  1.0 1.0
   29    33    53    76  -0.07550 -1.0 2.0
   29    33    53    76   0.20000  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    62   0.56750  1.0 1.0
   33    53    57    62  -0.07550 -1.0 2.0
   33    53    57    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    76   0.43200  1.0 3.0
   34    33    53    57   0.15000  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    76   0.21200  1.0 1.0
   38    33    53    76   0.16900 -1.0 2.0
   38    33    53    76  -1.15100  1.0 3.0
   38    33    53    57   0.34400  1.0 1.0
   38    33    53    57   0.09450 -1.0 2.0
   38    33    53    57   0.11100  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   39    42    49    53   0.34400  1.0 1.0
   39    42    49    53   0.09450 -1.0 2.0
   39    42    49    53   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    54   0.56750  1.0 1.0
   42    49    51    54  -0.07550 -1.0 2.0
   42    49    51    54   0.20000  1.0 3.0
   42    49    51    60   1.53400  1.0 1.0
   42    49    51    60  -0.09950 -1.0 2.0
   42    49    51    60   0.05700  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    76  -0.03700  1.0 1.0
   42    49    53    76   0.37200 -1.0 2.0
   42    49    53    76  -0.47300  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   44    42    49    53   0.15000  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51    54    61  -0.03700  1.0 1.0
   49    51    54    61   0.37200 -1.0 2.0
   49    51    54    61  -0.47300  1.0 3.0
   49    51    60    62   0.23450  1.0 1.0
   49    51    60    62   0.02050 -1.0 2.0
   49    51    60    62   0.25250  1.0 3.0
   49    51    60    65   0.58650  1.0 1.0
   49    51    60    65   0.12600 -1.0 2.0
   49    51    60    65   0.33350  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53   -57    62   0.56750  1.0 1.0
   49    53   -57    62  -0.07550 -1.0 2.0
   49    53   -57    62   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    51    60   0.15000  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    76   0.43200  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    33   0.56750  1.0 1.0
   51    49    53    33  -0.07550 -1.0 2.0
   51    49    53    33   0.20000  1.0 3.0
   51    49    53    76  -0.03700  1.0 1.0
   51    49    53    76   0.37200 -1.0 2.0
   51    49    53    76  -0.47300  1.0 3.0
   51    49    53    57   0.56750  1.0 1.0
   51    49    53    57  -0.07550 -1.0 2.0
   51    49    53    57   0.20000  1.0 3.0
   51    54    61    69   0.04150 -1.0 2.0
   51    54   -61    76   0.04150 -1.0 2.0
   51    60    65    66   0.28000  1.0 3.0
   51    60    65    67   0.28000  1.0 3.0
   51    60    65    68   0.28000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    61   0.43200  1.0 3.0
   52    51    60    62   0.28000  1.0 3.0
   52    51    60    65   0.28000  1.0 3.0
   54    51    60    62   0.23450  1.0 1.0
   54    51    60    62   0.02050 -1.0 2.0
   54    51    60    62   0.25250  1.0 3.0
   54    51    60    65   0.58650  1.0 1.0
   54    51    60    65   0.12600 -1.0 2.0
   54    51    60    65   0.33350  1.0 3.0
   54    61    69    70   3.62500 -1.0 2.0
   54    61    69    71   3.62500 -1.0 2.0
   54    61    76    74   3.62500 -1.0 2.0
   54    61    76    53   3.62500 -1.0 2.0
   55    54    61    69   0.00000  1.0 1.0
   55    54    61    76   0.00000  1.0 1.0
   56    54    61    69   0.00000  1.0 1.0
   56    54    61    76   0.00000  1.0 1.0
   61    69    71    72   3.62500 -1.0 2.0
   61    69    71    73   3.62500 -1.0 2.0
   61    76    53    33   0.04150 -1.0 2.0
   61    76   -53    49   0.04150 -1.0 2.0
   61    76    53    57   0.04150 -1.0 2.0
   69    61    76    74   3.62500 -1.0 2.0
   69    61    76    53   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -76    61   3.62500 -1.0 2.0
   73    74    76    53   3.62500 -1.0 2.0
   73    74    77    78   0.84100 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    76    53    33   0.04150 -1.0 2.0
   74    76    53    49   0.04150 -1.0 2.0
   74    76    53    57   0.04150 -1.0 2.0
   76    61    69    70   3.62500 -1.0 2.0
   76    61   -69    71   3.62500 -1.0 2.0
   76    74    77    78   0.84100 -1.0 2.0
   76    53    57    58   0.43200  1.0 3.0
   76    53    57    59   0.43200  1.0 3.0
   76    53    57    62  -0.03700  1.0 1.0
   76    53    57    62   0.37200 -1.0 2.0
   76    53    57    62  -0.47300  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    41   0.09700  1.0 1.0
   53    33    38    41   0.15600 -1.0 2.0
   53    33    38    41  -0.50800  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49   -51    54   0.56750  1.0 1.0
   53    49   -51    54  -0.07550 -1.0 2.0
   53    49   -51    54   0.20000  1.0 3.0
   53    49    51    60   1.53400  1.0 1.0
   53    49    51    60  -0.09950 -1.0 2.0
   53    49    51    60   0.05700  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57   -62    60   1.53400  1.0 1.0
   53    57   -62    60  -0.09950 -1.0 2.0
   53    57   -62    60   0.05700  1.0 3.0
   57    62   -60    51   0.23450  1.0 1.0
   57    62   -60    51   0.02050 -1.0 2.0
   57    62   -60    51   0.25250  1.0 3.0
   57    62    60    65   0.58650  1.0 1.0
   57    62    60    65   0.12600 -1.0 2.0
   57    62    60    65   0.33350  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    60   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    60   0.15000  1.0 3.0
   62    60    65    66   0.28000  1.0 3.0
   62    60    65    67   0.28000  1.0 3.0
   62    60    65    68   0.28000  1.0 3.0
   63    62    60    51   0.28000  1.0 3.0
   63    62    60    65   0.28000  1.0 3.0
   64    62    60    51   0.28000  1.0 3.0
   64    62    60    65   0.28000  1.0 3.0
   60    51    54    55   0.15000  1.0 3.0
   60    51    54    56   0.15000  1.0 3.0
   60    51    54    61   0.83750  1.0 1.0
   60    51    54    61   0.32200 -1.0 2.0
   60    51    54    61   0.70600  1.0 3.0
   77    74    76    61   3.62500 -1.0 2.0
   77    74    76    53   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   69    76    61    54   4.00000 -1.0 2.0
   71    70    69    61   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    53    76    61   4.00000 -1.0 2.0
END
